1-hydroxy-4-pentylcyclohexane-1-carboxylic acid

C12H22O3 — CID 118325551

IUPAC1-hydroxy-4-pentylcyclohexane-1-carboxylic acid
SMILESCCCCCC1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C12H22O3/c1-2-3-4-5-10-6-8-12(15,9-7-10)11(13)14/h10,15H,2-9H2,1H3,(H,13,14)
InChIKeyKOTWZGLCNMXVPD-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.57
Rot. Bonds5

About 1-hydroxy-4-pentylcyclohexane-1-carboxylic acid

1-hydroxy-4-pentylcyclohexane-1-carboxylic acid (PubChem CID 118325551) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-hydroxy-4-pentylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-pentylcyclohexane-1-carboxylic acid
PubChem CID118325551
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-hydroxy-4-pentylcyclohexane-1-carboxylic acid
SMILESCCCCCC1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C12H22O3/c1-2-3-4-5-10-6-8-12(15,9-7-10)11(13)14/h10,15H,2-9H2,1H3,(H,13,14)
InChIKeyKOTWZGLCNMXVPD-UHFFFAOYSA-N
XLogP2.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butyl-1-octylcyclohexane-1-carboxylic acid
CID 63403164
1-(4-hexylcyclohexyl)cyclohexane-1-carboxylic acid
CID 67791495
1-but-3-en-2-yl-4-butylcyclohexane-1-carboxylic acid
CID 79425782
4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
CID 79424914
hexane;pentylcyclopropane
CID 159592467
4-chloro-1-(4-nonylcyclohexyl)cyclohexane-1-carboxylic acid
CID 57142273
4-butyl-1-cycloheptylcyclohexane-1-carboxylic acid
CID 82929194
4-pentyl-1-(3,4,5-trifluorophenyl)cyclohexane-1-carboxylic acid
CID 57165971
3,11-diheptyldispiro[5.1.58.16]tetradecane
CID 18633606
4-heptylcyclohexane-1-carboxylic acid;hydrochloride
CID 70374677
4-butyl-1-(ethoxymethyl)cyclohexane-1-carboxylic acid
CID 103984143
2-chloro-2-(4-pentylcyclohexyl)acetic acid
CID 57228925

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-pentylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-4-pentylcyclohexane-1-carboxylic acid (CID 118325551) is 1-hydroxy-4-pentylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-pentylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-pentylcyclohexane-1-carboxylic acid is CCCCCC1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-hydroxy-4-pentylcyclohexane-1-carboxylic acid?
The InChIKey is KOTWZGLCNMXVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-3-4-5-10-6-8-12(15,9-7-10)11(13)14/h10,15H,2-9H2,1H3,(H,13,14).
What are the key properties of 1-hydroxy-4-pentylcyclohexane-1-carboxylic acid?
1-hydroxy-4-pentylcyclohexane-1-carboxylic acid has a molecular weight of 214.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-pentylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 118325551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).