[(1R,2S)-2-methylcyclohexyl] acetate

C9H16O2 — CID 11355623

IUPAC[(1R,2S)-2-methylcyclohexyl] acetate
SMILESCC(=O)O[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKeyAKIIJALHGMKJEJ-IONNQARKSA-N
MW156.22 g/mol
LogP2.13
Rot. Bonds1

About [(1R,2S)-2-methylcyclohexyl] acetate

[(1R,2S)-2-methylcyclohexyl] acetate (PubChem CID 11355623) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [(1R,2S)-2-methylcyclohexyl] acetate.

Molecular Properties

Compound Name[(1R,2S)-2-methylcyclohexyl] acetate
PubChem CID11355623
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[(1R,2S)-2-methylcyclohexyl] acetate
SMILESCC(=O)O[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3/t7-,9+/m0/s1
InChIKeyAKIIJALHGMKJEJ-IONNQARKSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1R,2S)-2-methylcyclohexyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethylhexyl Acetate
CID 7635
Cyclohexaneethyl acetate
CID 30771
Menthyl acetate
CID 27867
L-Menthyl acetate
CID 220674
Conifer acetate
CID 62240
(+)-Menthyl acetate
CID 62335
2-tert-Butylcyclohexyl acetate
CID 62334
(+)-Neomenthyl acetate
CID 75699
4-Acetoxy-3-pentyltetrahydropyran
CID 86799
5-Methyl-3-butyltetrahydropyran-4-yl acetate
CID 161960
(-)-Menthyl propionate
CID 221455
Menthyl propionate
CID 95384

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-methylcyclohexyl] acetate?
The IUPAC name of [(1R,2S)-2-methylcyclohexyl] acetate (CID 11355623) is [(1R,2S)-2-methylcyclohexyl] acetate.
What is the SMILES notation for [(1R,2S)-2-methylcyclohexyl] acetate?
The canonical SMILES for [(1R,2S)-2-methylcyclohexyl] acetate is CC(=O)O[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of [(1R,2S)-2-methylcyclohexyl] acetate?
The InChIKey is AKIIJALHGMKJEJ-IONNQARKSA-N. The full InChI is InChI=1S/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3/t7-,9+/m0/s1.
What are the key properties of [(1R,2S)-2-methylcyclohexyl] acetate?
[(1R,2S)-2-methylcyclohexyl] acetate has a molecular weight of 156.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-methylcyclohexyl] acetate is sourced from PubChem (CID 11355623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).