Molecule ID: 70679119

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

Description: The molecule is a 3-hydroxy monocarboxylic acid that is 3-hydroxydecanoic acid substituted by a methyl group at position 4 (the 3S,4S stereoisomer). It is a 3-hydroxy monocarboxylic acid, a medium-chain fatty acid, a branched-chain fatty acid and a hydroxy fatty acid. It derives from a decanoic acid.

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

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

InChI: InChI=1S/C11H22O3/c1-3-4-5-6-7-9(2)10(12)8-11(13)14/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9-,10-/m0/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 3.0