Carbonochloridic Acid, 5-Methyl-2-(1-Methylethyl)Cyclohexyl Ester, (1S,2R,5S)-

CAS: 7635-54-3 | C11H19ClO2

Loading 3D structure...

CAS Registry Number: 7635-54-3

Molecular Formula: C11H19ClO2

Molecular Mass: 218.72 g/mol

Carbonochloridic Acid, 5-Methyl-2-(1-Methylethyl)Cyclohexyl Ester, (1S,2R,5S)-

Carbonochloridic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1S,2R,5S)-

Formic acid, chloro-, p-menth-3-yl ester, (+)-

Carbonochloridic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1S-(1α,2β,5α)]-

(+)-Menthyl chloroformate

CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)Cl

InChI=1S/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m0/s1

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	218.72 g/mol	CAS Common Chemistry
	218.724 g/mol	RDKit
	218.107357528 g/mol	RDKit
Canonical SMILES	O=C(Cl)OC1CC(C)CCC1C(C)C	CAS Common Chemistry
InChI	InChI=1S/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3/t8-,9+,10-/m0/s1	CAS Common Chemistry
InChI Key	InChIKey=KIUPCUCGVCGPPA-AEJSXWLSSA-N	CAS Common Chemistry
Name	Carbonochloridic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1S,2R,5S)-	CAS Common Chemistry
Heavy Atom Count	14	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	26.3 Å²	RDKit
LogP	3.822600000000003	RDKit
Molar Refractivity	57.46500000000004	RDKit