Molecule ID: 70788967

IUPAC Name: (3S,4S)-3-hydroxy-4-methyloctanoic acid

Description: The molecule is a hydroxy fatty acid that is caprylic (octanoic) acid substituted at positions 3 and 4 by hydroxy and methyl grous respectively. It is a branched-chain fatty acid, a medium-chain fatty acid and a hydroxy fatty acid. It derives from an octanoic acid.

SMILES: CCCC[C@H](C)[C@@H](O)CC(=O)O

SELFIES: [C][C][C][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H18O3/c1-3-4-5-7(2)8(10)6-9(11)12/h7-8,10H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m0/s1

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