chempirical

(-)-Menthoxyacetyl chloride

C12H21ClO2CAS 15356-62-4232.75 g/mol

Open in Covalent MOL file
OOCl
Acyl halideEther

Properties

Molecular formula
C12H21ClO2
Molar mass
232.75 g/mol
Exact mass
232.1230 Da
logP
3.23Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4
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
15356-62-4
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OCC(=O)Cl)C(C)C
InChIKey
VNMCKLVHDJADEB-OUAUKWLOSA-N
InChI
InChI=1S/C12H21ClO2/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3/t9-,10+,11-/m1/s1

Weigh it out

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

Work with (-)-Menthoxyacetyl chloride

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

2-[[(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]acetic acid40248-63-365 % similar (-)-Menthyl chloroformate14602-86-960 % similar (+)-Menthyl chloroformate7635-54-360 % similar Menthyl acetate16409-45-354 % similar Menthyl acetate2623-23-654 % similar (±)-Menthyl acetate89-48-554 % similar (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate111969-64-350 % similar (-)-Menthyl glyoxylate26315-61-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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