Molecule ID: 11953877

IUPAC Name: 3-hydroxy-3-methyl-2-oxopentanoate

Description: The molecule is the conjugate base of 3-hydroxy-3-methyl-2-oxopentanoic acid. It is a 2-oxo monocarboxylic acid anion, a hydroxy monocarboxylic acid anion and a branched-chain saturated fatty acid anion. It derives from a valerate. It is a conjugate base of a 3-hydroxy-3-methyl-2-oxopentanoic acid.

SMILES: CCC(C)(O)C(=O)C(=O)[O-]

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

InChI: InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)/p-1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 0.8