Molecule ID: 75669491

IUPAC Name: 3-hydroxy-3-methylhexanoate

Description: The molecule is a hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxy-3-methylhexanoic acid, arising from deprotonation of the carboxy group. It is a hydroxy monocarboxylic acid anion and a 3-methyl fatty acid anion. It derives from a hexanoate. It is a conjugate base of a 3-hydroxy-3-methylhexanoic acid.

SMILES: CCCC(C)(O)CC(=O)[O-]

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

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

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 1.2