2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid

C13H22O2 — CID 81021365

IUPAC2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(C2CCCC2)C1
InChIInChI=1S/C13H22O2/c1-9-6-7-11(13(14)15)12(8-9)10-4-2-3-5-10/h9-12H,2-8H2,1H3,(H,14,15)
InChIKeyHMJBRWNLHCLEDE-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.31
Rot. Bonds2

About 2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid

2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid (PubChem CID 81021365) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid
PubChem CID81021365
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)C(C2CCCC2)C1
InChIInChI=1S/C13H22O2/c1-9-6-7-11(13(14)15)12(8-9)10-4-2-3-5-10/h9-12H,2-8H2,1H3,(H,14,15)
InChIKeyHMJBRWNLHCLEDE-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2R)-2-cyclohexylcyclopropane-1-carboxylic acid
CID 12992914
2-cyclononylcyclohexane-1,4-dicarboxylic acid
CID 139878534
trans-(1R,2R)-2-(4-methylcyclohexyl)cyclopropane-1-carboxylic acid
CID 124510186
cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
CID 95788683
(1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid
CID 14143356
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 18691683
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid;manganese
CID 70185276
3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140574034
(1R,2S,4R)-4-methylcyclohexane-1,2-dicarboxylic acid
CID 92643804
1-(2-cyclopentylcyclopropyl)ethanone
CID 62313246
(1R,2R,4S)-2,4-dimethylcyclohexane-1-carboxylic acid
CID 7375874
(1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane
CID 162245394

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid (CID 81021365) is 2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)C(C2CCCC2)C1.
What is the InChIKey of 2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is HMJBRWNLHCLEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9-6-7-11(13(14)15)12(8-9)10-4-2-3-5-10/h9-12H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid?
2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 210.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81021365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).