2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid

C13H22O2 — CID 81008981

IUPAC2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CC1CCCCC1
InChIInChI=1S/C13H22O2/c14-13(15)12-8-4-7-11(12)9-10-5-2-1-3-6-10/h10-12H,1-9H2,(H,14,15)
InChIKeyYTUMSUARPSVTTK-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.46
Rot. Bonds3

About 2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid

2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid (PubChem CID 81008981) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid
PubChem CID81008981
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CC1CCCCC1
InChIInChI=1S/C13H22O2/c14-13(15)12-8-4-7-11(12)9-10-5-2-1-3-6-10/h10-12H,1-9H2,(H,14,15)
InChIKeyYTUMSUARPSVTTK-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopentylmethyl)cycloheptane-1-carboxylic acid
CID 81020373
2-(cyclohexylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 81021047
2-(cyclohexylmethyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021233
cis-(1S,2S)-2-(fluoromethyl)cyclohexane-1-carboxylic acid
CID 96581669
trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid
CID 96581659
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
trans-(1S,2R)-2-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 145395448
2-(2,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid
CID 175486493
2-prop-2-ynylcyclopentane-1-carboxylic acid
CID 81009322
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
1-(cycloundecylmethyl)-2-methylcyclotridecane
CID 123643293

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid (CID 81008981) is 2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid?
The InChIKey is YTUMSUARPSVTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-13(15)12-8-4-7-11(12)9-10-5-2-1-3-6-10/h10-12H,1-9H2,(H,14,15).
What are the key properties of 2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid?
2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid has a molecular weight of 210.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81008981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).