Molecule ID: 23422948

IUPAC Name: 6-hydroxy-3,7-dimethyloctanoic acid

Description: The molecule is a hydroxy fatty acid that consists of caprylic acid bearing two additional methyl substituents at positions 3 and 7 as well as a hydroxy substituent at position 6. It derives from an octanoic acid. It is a conjugate acid of a 6-hydroxy-3,7-dimethyloctanoate.

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

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

InChI: InChI=1S/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 1.9