chempirical

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. Search the SDS library

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

Weigh it out

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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