Molecule ID: 16666688

IUPAC Name: 3-hydroxy-3-methylhexanoic acid

Description: The molecule is a 3-hydroxy monocarboxylic acid that is hexanoic acid substituted by a hydroxy group and a methyl group at position 3. It is a metabolite found in human sweat. It has a role as a human metabolite. It is a 3-hydroxy monocarboxylic acid and a volatile organic compound. It is a conjugate acid of a 3-hydroxy-3-methylhexanoate.

SMILES: CCCC(C)(O)CC(=O)O

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

InChI: InChI=1S/C7H14O3/c1-3-4-7(2,10)5-6(8)9/h10H,3-5H2,1-2H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 0.5