(1S)-2-methylcyclohexane-1-carboxylic acid

C8H14O2 — CID 89206969

IUPAC(1S)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6?,7-/m0/s1
InChIKeyVSKXJRZPVDLHFY-MLWJPKLSSA-N
MW142.20 g/mol
LogP1.90
Rot. Bonds1

About (1S)-2-methylcyclohexane-1-carboxylic acid

(1S)-2-methylcyclohexane-1-carboxylic acid (PubChem CID 89206969) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1S)-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-2-methylcyclohexane-1-carboxylic acid
PubChem CID89206969
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1S)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6?,7-/m0/s1
InChIKeyVSKXJRZPVDLHFY-MLWJPKLSSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-2-methylcyclohexane-1-carboxylic acid 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-methylcyclohexane-1-carboxylic acid;dihydrochloride
CID 90238967
2-methylcyclooctane-1-carboxylic acid
CID 21039885
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
cadmium(2+);bis(2-methylcyclohexane-1-carboxylate)
CID 22603924
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594
(1S)-2-acetylcyclohexane-1-carboxylic acid
CID 126517131
cis-(1S,2R)-2-methylcyclohexane-1-carboxylic acid;methanol;methyl formate;spiro[2.3]hexane
CID 143693719
calcium;cis-(1S,2R)-cyclohexane-1,2-dicarboxylic acid;hydride;hydrate
CID 175099769
2-methylcyclohexane-1-carboxylic acid;2-trimethylsilylethyl 2-methylcyclohexane-1-carboxylate
CID 161025451
cis-(1R,2S)-2-methylcyclopentane-1-carboxamide
CID 55289072
2-bromo-1-[(1R,2R)-2-methylcyclohexyl]ethanone
CID 93494508

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of (1S)-2-methylcyclohexane-1-carboxylic acid (CID 89206969) is (1S)-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for (1S)-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for (1S)-2-methylcyclohexane-1-carboxylic acid is CC1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (1S)-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is VSKXJRZPVDLHFY-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6?,7-/m0/s1.
What are the key properties of (1S)-2-methylcyclohexane-1-carboxylic acid?
(1S)-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 142.20 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 89206969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).