Organic chemistry is a branch of chemistry that deals with organic molecules, i.e. (most) carbon compounds.
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GAMESS Firefly Bond Dissociation Energies and Bond Energy
I'd like to calculate Bond Dissociation Energy and Bond Energy of ATP to a similar molecule. I was told GAMESS or Firefly (pcgames) are able to do this Computational Bond Dissociation Energies and ...
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1answer
19 views
Computational Bond Dissociation Energies and Bond Energy
I'd like to calculate Bond Dissociation Energy and Bond Energy for ATP to a similar molecule. What free (at least for academic use) computer programs will do this.
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Where did the acac come from in Cr(acac)3 synthesis by CrCl3 reagent?
Those are the reactions:
$$\ce{(H2N)2CO + 3 H2O -> CO2 + 2 NH4+ + 2OH-}$$
$$\ce{CH3COCH2COCH3 + OH- -> acac- + H2O}$$
$$\ce{CrCl3.6H2O -> Cr3+ + 3Cl- + 6H2O}$$
$$\ce{Cr3+ + 3acac- -> ...
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PEG (polyethylene glycol) and ITO (indiumtinoxide)
The binding of proteins to an ITO surface can be prevented by coating it with PEG groups (polyethylene glycol). PEG-silane is used to create the coating.
can somebody help with:
*Why does PEG silane ...
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1answer
50 views
The most common elements in functional group [closed]
My question is what are the most two common elements in functional groups?
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29 views
Resisting phosphorlazation by ATP/ADP/AMP
AZT is a triphosphaste nucleoside which ATP binds to by way of a protein 3KLE. I have another chemical and I want to know if it will form a dinucleoside. Can someone tell me which computer program ...
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1answer
17 views
Can I synthesize salicylic acid from salycylaldehyde?
I have a homework set about synthesis. One of the questions is:
You have a bottle of salycylaldehyde. And you want to make salicylic acid from salicylaldehyde. You can use all reagents and ...
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alpha/beta polysaccharides
In polysachharides like sucrose or any other disachhaharides , how is it that we assign whether the glycosidic bond is alpha/beta ?
For example the images here: ...
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41 views
Markownikoff's addition to halogenated alkene?
The justification or rather intuition behind Markownikoff's rule is the stability of intermediate carbocation. The more substituted the carbocation the more stable the product. But based on this ideas ...
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1answer
37 views
Why are the vinylic bonds in alkenes slightly polar?
when searching in the internet about why are alkenes more polar than alkanes (but still they are non-polar), they are always saying that the double bond is more polarizable , i understood the whole ...
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0answers
30 views
Degradation mechanism of hydroxymethylfurfural to 2,5-dioxo-3-hexenal and 4-oxopentanoic acid
I want to understand the degradation mechanism of hydroxymethylfurfural (HMF). According to the Wikipedia article, HMF is degraded in honey. Someone said that the degradation proceeds via 2 possible ...
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2answers
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What are the main axis of research in Chemistry? [closed]
I would like to know what are the main problems currently studied in Chemistry.
For some reason, it seems that there is far less vulgarisation in chemistry than the other fields, and it's hard to ...
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1answer
52 views
LiAlH4 on carboxylic acid
I've read that when a carboxylic acid reacts with $\ce{LiAlH_4}$ it gives two alcohols (just like an ester).
But when I try to think of the mechanism, I get stuck here:
$\ce{LiAlH_4}$ produces ...
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1answer
53 views
What is octanamide used for?
I read a paper about enzyme-catalysed synthesis of octanamide.
What is octanamide used for?
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1answer
39 views
Prediction of surface atoms in molecule from its graph
If we are given a molecular graph i.e. al the atoms involved and their connectivity, how can we make reasonable prediction if the atom would lie in the surface or in the inner part. On way might be ...
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44 views
Why Inductive effect operates only through single bonds?
I am not able to find any examples of inductive effect operating through multiple bonds . Why can't electron displacement take place in multiple bonds ?
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What is the best way to disolve and consume Cysteine HCL Monohydrate powder?
If I mix Cysteine powder in Juice (something acidic maybe), does it remain at Cysteine?
It seems that it can oxidize into Cystine and loose some of its qualities. Veg-caps deliver the powder ...
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1answer
55 views
Wavelength of light
how do you calculate the wavelength of light? For chemsitry lab, we calibrated the scale reading of Hg, for example, to be 4.91 cm which is violet and the given wavelength says 436. For Hg, it says ...
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1answer
28 views
Effect of substituting oxygen with sulfur in durg molecules
What sort of changes in the properties of organic or drug molecule can be anticipated if you substitute some or all of the oxygen atoms with sulphur atoms, and vice versa.
My interest in this ...
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1answer
40 views
Why does nucleophilic substitution of a haloalkane with ammonia produce ammonium, not a hydrogen halide?
For example, $\ce{CH3CHBrCH3}$ reacts with $\ce{:NH_3}$ to make $\ce{CH3CH(NH3^+)CH3 +:Br-}$,$$\ce{CH3CHBrCH3 \rightarrow CH3CH(NH3^+)CH3 +:Br-}$$then reacting again with $\ce{:NH_3}$ to make ...
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0answers
21 views
Better understanding the pyrolysis reaction
I'm no chemist, but much of my work revolves around biochar. I've always understood it with the following rough approximation:
$$CH_2O + heat \rightarrow BC + H_2 + CO + CH_4 + HC's$$
where the ...
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3answers
80 views
Pronunciation of “alkene” vs. “alkyne”
Maybe this is better in English.SE, but I think I'm more likely to get better responses here in the "industry" site. This post got me thinking; how do you pronounce "alkyne" (a hydrocarbon with a ...
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2answers
34 views
Correct definition of terminal alkynes?
My textbook, Organic Chemistry (6th edition) by Brown, Foote, Iverson, and Anslyn, states:
Alkynes in which the triple bond is between carbons 1 and 2 are commonly referred to as terminal alkynes.
...
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1answer
58 views
How to determine with at-home tools how much testosterone is present in blood safely?
so someone told me females don't have testosterone, and they are obviously wrong, as not only science, but peer testing, common sense, and general anatomy will disagree with females not having any ...
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1answer
42 views
Why does molten plastic (PLA) stick to metals (AL)?
I know this is broad so I will narrow:
Why does molten PLA stick to Aluminum?
I ask because I'm looking for a way to prevent/reduce the friction of the plastic inside the aluminum barrel of a 3D ...
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1answer
49 views
Relative racemisation in $S_N 1$ reaction?
Why is it that the extent of racemisation is greater in $S_N 1$ reaction caried out using polar protic solvent but the racemisation is not as extensive if aprotic solvent is used although the ...
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1answer
55 views
How to transform a tertiary alcohol to a carboxyl?
I am trying to transform a lipid with a tertiary alcohol into a carboxylic acid.
More specifically, I want to convert to diplopterol (see below) into something homologous to cholesteryl hemisuccinate ...
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1answer
44 views
synthesizable functional groups
I was told in this question: synthesizability and energy minimization of a structure to
[Count the] "number of accessible functional groups (alkenes, amines, alcohols, esters, etc) which make it ...
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1answer
28 views
synthesizability and energy minimization of a structure
I am creating many random organic molecules which I need to give structure to using a Unix program that gives minimized structure of a set of atoms with (hopefully) appropriate bonds based on energy. ...
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2answers
53 views
Source of the no. of isomers in alkanes, and other organic molecules
I would like to ask if there is a source where I can find all the isomers for the alkanes, or other organic molecules. With other words, a list where each molecule of that group is stated in ascending ...
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1answer
35 views
Why do we need to incubate this system for 18 hours at 60 degrees Celsius?
I am conducting a bio-chemistry related experiment and I have been unable to understand a step which is commonly performed. The procedure that is confusing me is outlined in the supporting ...
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2answers
21 views
What analytical methods are used to quantify C, O, N, and H in a sample?
A very common analytical method for detection of more than 70 elements is ICP-OES (Wikipedia page). But apparently, it's not suited for some substances (cited from this paper, section 6.2, page 12):
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1answer
23 views
Result of glucose with acetic anhydride and pyridine?
What is the result when glucose is mixed with excess acetic anhydride and excess pyridine?
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How to write down the composition of eluent mixtures for TLC
I obtained some Rf values via TLC by adding two or three drops methanolic triethylamine to an eluent mixture of let's say DCM/MeOH = 9:1. I couldn't find an example of how a mixture like that is ...
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1answer
62 views
Can iproniazid be prepared by reacting isoniazid with 2-chloropropane?
I'm asking as I fear that the 2-chloropropane might react with the pyridine ring to form k-isopropylpridine-4-carbohydrazidine where k=2,3,5. Or that no reaction will take place.
Figure 1: ...
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2answers
28 views
Reaction between n-butylithium and either an aromatic bromide or an alkylbromide
What exactly happens? Does the butylithium chain add to the carbon where the bromine is attached? or do the 2 undergo halogen metal exchange?
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1answer
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What is the influence of an alkyl-hydroxy group on a benzene ring?
We all know that an $\ce{NO2}$ group attached to a benzene is a deactivator, and it directs and substituents that would be adding to the meta position to the $\ce{NO2}$. For an alkyl group attached ...
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1answer
47 views
What does the eta notation mean in the naming of a transition metal complex?
I am reading a paper (Gutel et al., J. Mater. Chem. 2007, 17, 3290-3292) and I have come across the following reaction:
In organic solvents, the decomposition under mild conditions of
...
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1answer
34 views
Does tolerance to alcohol affect blood/breath alcohol levels?
When blood / breath alcohol levels are taken to determine how intoxicated a person is, does it depend on their tolerance ?
i.e. If you had two people of identical age, weight, fitness, etc.
person ...
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1answer
24 views
Write the products (plural!) for the hydrogenation of the cycloalkene in this compound
I'm having trouble with a pretty basic chemistry problem. The problem is writing the products (so more than one) for the hydrogenation of the cycloalkene ring in the following compound.
Reagents are ...
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30 views
Polar group strong dipole effect molecular axis
There are some fundamental charactaristics of liquid crystal. One of them is that all liquid crystals are organic compounds and at one side of their long molecular foundation there exists a polar ...
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28 views
How different are molecule with same connectivity
Let us represent molecules by graphs (atoms are vertices and bonds are edges).
Let $A$ be the adjacency matrix of the molecular graph. $A_{ij} = b$ where $b$ is either binary: 0 when atom i and j are ...
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2answers
60 views
What is the multiplicity of this signal in the 1H NMR of glutamine in D2O
The 2 Hydrogens near the carbonyl (the lower 2 $\ce{H}$s are not bonded to the nitrogen) should be the most deshielded so I think they appear as the rightmost peak in the NMR. Are these 2 $\ce{H}$s a ...
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1answer
51 views
What is the substituent on this benzaldehyde? (MS attached)
I have no clue what the substituent may be.
The molar mass of the unsubstituted benzaldehyde is 105g/mol (subtracting one H, where the substituent will be). So the substituent is around 30-33g/mol. ...
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1answer
47 views
Boiling point and solubility
Which one of the following compounds has the highest solubility :
$$\ce{CH3CH3 \ \ \ \ \ \ \ \ \ CH3-O-CH3 \ \ \ \ \ \ \ \ \ CH3CHO \ \ \ \ \ \ \ \ \ CH3OH}$$
Which one of the following compounds ...
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3answers
108 views
How does Sodium Bicarbonate act as a Deodorizing agent?
I was reading this other question on the site: Deodorizing using baking powder instead of baking soda.
Apparently, baking soda is used quite often as a cleaning and deodorizing agent. From what I ...
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1answer
129 views
oxidation of ketones
Ketones are relatively much harder to oxidise, but they do undergo oxidation reactions at extreme temperatures. Our teacher also told us about the popoff's rule which says that during oxidation of ...
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1answer
58 views
chemical formula of ethanol and other carbon compounds
should chemical formula of ethanol be written as CH3CH2OH or C2H5OH ? And whats the logic behind it? I have seen the former being used more often, so why is ethane represented by C2H6 than CH3CH3?
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1answer
58 views
Changes in physical properties in homologous series : Solubility
In the text that I'm reading it is stated that :
As the molecular mass increases in any homologous series, a gradation in physical properties is seen. This is because the melting points and ...
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1answer
66 views
Resonance structure and hybridisation
I was given the first structure, and then drew the other 5 resonance structures.
First of all, are they correct? ChemBioDraw had some complaints, but as far as I can see there's the same amount of ...
