Molecule ID: 56927915

IUPAC Name: (3S,6R)-6-hydroxy-3,7-dimethyloctanoate

Description: The molecule is a hydroxy fatty acid anion that is the conjugate base of (3S,6R)-6-hydroxy-3,7-dimethyloctanoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (3S,6R)-6-hydroxy-3,7-dimethyloctanoic acid.

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

SELFIES: [C][C][Branch1][C][C][C@H1][Branch1][C][O][C][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][O-1]

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)/p-1/t8-,9+/m0/s1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 2.6