Questions tagged [structural-formula]
This tag should be applied to questions about structural diagrams - diagrams used to show the crude location of possible existent bonds and lone pairs of electrons in a chemical species. Do not use this tag if your question is about Lewis structures, use [lewis-structures] instead.
162
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2
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What is the criss-cross C-N bond in furazolidone? [duplicate]
What is the cross C-N bond in the structure of furazolidone? I have never seen this notation before and couldn't find anything on it.
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1
answer
57
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What do the arrows mean in the Structural Formula of Oxaliplatin? [duplicate]
What do the arrows mean in the Structural Formula of Oxaliplatin? I haven't seen these and couldn't find anything explaining them.
-2
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1
answer
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How to calculate oxidation number for silver hexafluorophosphate (AgPF6)? [closed]
I'm doing some exercise of assigning oxidation numbers and I am stuck with this compound:
$$\ce{AgPF6}$$
According to the guidelines fluorine is always -1. But how do I know how to split the +6 among ...
5
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1
answer
108
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From chemfig to .mol file/SMILES
I usually draw molecules using the markup language known as LaTeX. In particular, I use the chemfig package. I much prefer this method over WYSIWYG apps because it ...
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1
answer
243
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How many aldehydes and ketones can be formed from molecular formula C5H10O? [closed]
Question:
What are the possible aldehydes and ketones with molecular formula $\ce{C5H10O$ (including the stereoisomers)?
Answer: 5 aldehydes and 3 ketones
The degree of unsaturation of the compound ...
1
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2
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279
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Molecular orbital picture in conjugated molecules - double bonds
I am a not a chemistry student but a physics student. Nevertheless, I am quite familiar with molecular orbital theory and similar quantum chemistry concepts. However, I have problems understanding the ...
1
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1
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227
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Converting structures into Fisher projections
I am really struggling with converting pyrano/furanosides into their Fisher projection counterparts. Especially when they are drawn like in the shown projection. When do you know to connect the ...
0
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2
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109
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Shouldn't the Cl- be placed beside the charged N+ ion when writing the structural formula of Benzenediazonium chloride?
I found the structural formula of Benzenediazonium chloride written on a website:
I believe that the Cl- ion is stabilizing the N+ ion.
So, shouldn't the structural formula be written like the above ...
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1
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815
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How to draw the structural formula for 3-ethyl-5-methyl-3-heptene? [closed]
This is the kind of structural formula we need to draw:
I took help from Reddit. Here is the attempt:
I have done one more attempt:
Though the 4th carbon of the left condensed version needs to have ...
7
votes
1
answer
692
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Listing all possible structures for a given Markush structure automatically
I have Markush formulas described as mol blocks, v3000, even if that does not matter that much because I could convert it into another format if needed.
I need the possibility to automatically list ...
-1
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1
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184
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Given type and number of carbon atoms and degree of unsaturation of a hydrocarbon, write structural formula
Write a structural formula of the hydrocarbon that contains 4 primary carbon atoms, 2 ternary carbon atoms, 3 quaternary carbon atoms, and has degree of unsaturation 3.
This has been given at the ...
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1
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Where are the C and H atoms in 1,3,3,3-Tetrafluoropropene? [closed]
I'm learning about refrigerants, and one refrigerant is R-1234ze, otherwise known as 1,3,3,3-Tetrafluoropropene.
On Wikipedia, it says that the chemical formula is $\ce{C_3H_2F_4}$. But, Wikipedia ...
2
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2
answers
894
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How to highlight the substructure of a molecule with thick red lines in RDKit as SVG (high res)
I have the following code:
...
12
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1
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343
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What's the difference between a 'centered' and 'side' double bond on a structural formula?
It's hard to explain since I don't know what you'd call this but here's what I mean:
You can see that the oxygen is drawn with two bonds centred on the diagram while the nitrogen has a single centred ...
0
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0
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How to draw a skeletal formula with thick lines and high resolution? [duplicate]
Consider the caffeine molecule skeletal formula as depicted in the Wikimedia Commons .svg file. Suppose that I want to replicate this skeletal formula with a high resolution and thicker lines.
I have ...
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2
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99
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What molecule is this. Pretty sure its not ethanol? [closed]
This is the molecule in question
This in advance.
2
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0
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144
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What does fractional notation represent in molecular formulas such as SiO4/2 or H2SiO2/2?
I'm going through some papers about HSQ (hydrogen silsesquioxane) and keep seeing this fractional notation being used:
HSiO3/2 , SiO4/2 , H2SiO2/2 , H3SiO1/2.
Example paper.
I understand that the ...
6
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1
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100
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Are atom coordinates in molfile necessary to produce a valid InChI identifier
I took this molfile of benzoic acid:
...
4
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1
answer
108
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How to draw xenon hexafluoride in rdkit from SMILES?
In SMILES I would think that $\ce{XeF6}$ would be F[Xe](F)(F)(F)(F)F or F[Xe](F)(F)(F)(F)(F). A quick Wikipedia search showed ...
7
votes
1
answer
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ChemDraw: how to change the default aromatic ring style for drawing from SMILES
I'm a beginner at ChemDraw.
I'd like to draw a molecule from SMILES and the ring bond should be drawn like the left image:
In my case, my image is drawn like the right image.
Is there any method to ...
14
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3
answers
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How can I draw alpha helices in ChemDraw?
I am trying to draw a polyisocyanopeptide with different kinds of monomeric units that intramolecularly interact with one another. However, I wanted to show these connections with its carbon backbone ...
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1
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287
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Sucrose skeletal formula - missing Carbon and Hydrogen [duplicate]
I was reading the Wikipedia article about Sucrose, when I noticed that the skeletal formula was missing some $\ce{C}$ and $\ce{H}$ atoms. The chemical formula being $\ce{C12H22O11}$, I counted the $11$...
7
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1
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197
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Name of this bond-line formula? [closed]
I don’t know much about chemistry but I recently found the below bond-line structural formula painted on a wall near my place. I really can’t let go of trying to find the name of the compound. If ...
1
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0
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How does the mass composition affect the empirical formula? [closed]
I have to do an assignment of empirical formula, and how different percentage mass compositions affect the formula obtained, from experimental data.
We did three trials and 2 of which of the same ...
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1
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52
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What is the name and formula of this structure? [closed]
Could anyone please let me know the formula and name of this structure? Any answer is helpful. Could you also summarize how to deduce the formula?
Here is an image:
0
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0
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136
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What is the structure-activity relationship of cocaine?
Cocaine is a widely known drug for both recreational and pharmacological uses. What exactly is the relationship of its structure to its drug activity?
6
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1
answer
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How to search substructures with explicit hydrogen in RDKit?
For a substructure search I would like to search for structures containing unfused benzyl.
The idea was to explicitly add hydrogen. But apparently this does not give the expected results.
So, I ...
-1
votes
1
answer
1k
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Is it correct to put a methyl group on each end of a skeletal formula? [closed]
On my organic chemistry exam there was a skeletal formula that had, supposedly one methyl group at each end of the skeletal formula and one somewhere in the middle.
But is it correct if you draw a ...
7
votes
1
answer
902
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Meaning of the term "vertex" in the topic of skeletal formulae
From the Wikipedia article on skeletal formula:
Hydrogen atoms attached to carbon are implied. An unlabeled vertex is understood to represent a carbon attached to the number of hydrogens required ...
7
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1
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How can I find out a substance's name from its structural formula?
When visiting a botanical garden in Stockholm, I came across the following mosaic tile:
I tried using MolView, but it does not seem to identify it. Also, I have tried their advanced search (...
0
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1
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156
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Understanding the unit cell of Chalcopyrite vs its formula
According to the Wikipedia article for Chalcopyrite it has a formula of: $\ce{CuFeS2}$ and a unit cell of:
But from the unit cell it has 13 Copper, 10 Iron and 8 Sulphur. This doesn't match with the ...
0
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2
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Why are triple covalent carbon to carbon bonds drawn linearly in skeletal structure? [duplicate]
In the link see that cyclic C-C structure with a triple covalent bond is drawn with an angle, probably the only way to draw it but why is it drawn linearly in non-cyclic and not like single or double ...
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1
answer
61
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Wondering about tetrasilicates [closed]
I found two papers from which two different formulae for the tetrasilicate (tetrasilicic acid) are found:
1.https://www.sciencedirect.com/science/article/pii/S0022309302015491.
2.https://www.ncbi.nlm....
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1
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Total Structural Isomers of diphenyl chloromethane?
The maximum option is 8 available but while Drawing I found there are many more . Are there any other condition of structural formula except the fact that the compounds will have the same molecular ...
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1
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Chemical formula of Lactic acid
Formula of Lactic acid is given as C3H6O3, can't this be divided by the common factor3, and written as CH2O?
5
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0
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Pseudo 3D skeletal structure style which emphasizes geometry
If one searches and navigates to a wiki page for, say, dichlorodifluoromethane one sees the 2D skeletal structure of the compound as below
This representation appears to be of a particular style that ...
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3
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293
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Is it possible to represent Aluminum 6061 (AlMgSiCuCr) as a skeletal structure? [closed]
Is it possible to represent Aluminum 6061 (AlMgSiCuCr) as a skeletal formula / structure?
Linear Formula: Al-97.9% Mg-1% Si-0.6% Fe-0.4% Cu-0.28%
(possibly helpful)
Here's an example of what I mean.....
0
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1
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592
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What are the metamers of penta-1,2-diene?
First of all, are there any metamers for dienes? If there are any, how can I find them?
4
votes
1
answer
232
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2- or -2 as superscript? [duplicate]
When writing the formula for an ion, should the operator come before or after the number that indicates the ion's charge?
Here are some examples:
$\ce{SO_4^{-2}}$ or $\ce{SO_4^{2-}}$
$\ce{Fe^{+2}}$ ...
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2
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145
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How to find the compounds that form the solid (chemical formulas)
If we have a solution that contains water and potassium sulfate (K2SO4).
And we add to this solution :
Du magnesium chloride (MgCl2) and lead nitrate (II) (Pb(NO3)2)
What would the compounds ...
1
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1
answer
11k
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does it make any difference writing NO2 instead of O2N [duplicate]
can you write NO2 in all three?
8
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6
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3k
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Free API to view 2D representation of Molecules
I'm looking for a free API that can accept a SMILE and produce the 2D structure of a molecule. I would like to include this in a web page.
I have collection of SMILES and would like to have the 2D ...
20
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6
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Organic Structure Challenge
Recently we had this challenge in our Organic Chemistry Department.
I was not involved in it but I thought it might be interesting for the SE Chemistry site, so here it is.
Propose a structure for ...
0
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1
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Drawing and naming structures
I am trying to learn how to draw and name skeletal chemical structures and would like some opinions and help if you may.
In the second (bottom) structure I can see that there are 6 carbons so hex ...
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1
answer
208
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Why doesn't the sulfate anion in copper(II) sulfate have a subscript of 2? [closed]
So I'm being asked to find the chemical formula for copper(II) sulfate.
I thought it would be written as:
$$\ce{Cu(SO4)2}$$
Apparently it's written as:
$$\ce{Cu(SO4)}$$
Can anyone please explain ...
4
votes
1
answer
243
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Finding $c$ with Dulong-Petit law on non-molecular substance
The Wikipedia article states the Dulong-Petit law as follows:
$$c=\frac{3R}M$$
$c$ is specific heat capacity $[\mathrm{\frac J{kg\; K}}]$ and $R$ the gas constant. $M$ is the molar mass in [g/mole], ...
5
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1
answer
430
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How to infer formula from diagram
Hello Folks
I am not now nor have I ever been any kind of chemist.
My question is, how is the formula for Cerin, C30H50O2, consistent with this diagram taken from Chemspider?
I can count the 30 ...
0
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1
answer
156
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Naming of an organic compound
How would I determine the systematic name of $\ce{(CH3)2CHCH2CHClCH3}$?
First of all, how do we determine which side we number the carbon atoms from? It has an alkyl group ($\ce{CH3}$) and a ...
1
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1
answer
970
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What is the correct structure for trans-3,4-dichlorocyclopentene?
I have to draw the structure for trans-3,4-dichlorocyclopentene.
What position should I draw the double bond at? Should I draw it as molecule 2? Because there's a trans.
Or should I draw it as ...
13
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1
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Double bond crossed lines representation
I have been studying organic chemistry for years, and I do not remember the spotting double bond represented with crossed lines, except maybe one ore two more times in addition to the following one
...