L-Menthyl acrylate

C13H22O2CAS 4835-96-5210.32 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C13H22O2
Molar mass
210.32 g/mol
Exact mass
210.1620 Da
logP
3.18Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3
Stereocentres
R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
4835-96-5
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C=C)C(C)C
InChIKey
XJBRSZAYOKVFRH-GRYCIOLGSA-N
InChI
InChI=1S/C13H22O2/c1-5-13(14)15-12-8-10(4)6-7-11(12)9(2)3/h5,9-12H,1,6-8H2,2-4H3/t10-,11+,12-/m1/s1

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Type any one amount. The others follow from the molar mass.

Work with L-Menthyl acrylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(-)-Menthyl glyoxylate26315-61-772 % similar Menthyl acetate16409-45-360 % similar Menthyl acetate2623-23-660 % similar (±)-Menthyl acetate89-48-560 % similar (-)-Menthyl chloroformate14602-86-959 % similar (+)-Menthyl chloroformate7635-54-359 % similar (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate111969-64-356 % similar Menthyl lactate17162-29-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Geranyl propionate105-90-8 Linalyl propionate144-39-8 Hydroxymethylpentylcyclohexenecarboxaldehyde31906-04-4

Elsewhere

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