Molecule ID: 136759

IUPAC Name: 4-tert-butylcyclohexane-1-carboxylic acid

Description: The molecule is a monocarboxylic acid that is cyclohexanecarboxylic acid substituted by a tert-butyl group at position 4 (the trans-stereoisomer). It has a role as a metabolite. It derives from a hydride of a cyclohexane.

SMILES: CC(C)(C)C1CCC(C(=O)O)CC1

SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2]

InChI: InChI=1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 3.3