Molecule ID: 135563651

IUPAC Name: (Z)-1-hydroxy-1-oxododec-2-en-2-olate

Description: The molecule is an unsaturated fatty acid anion obtained by the formal deprotonation of the carboxy group of 2-hydroxydodec-2-enoic acid [the (minor) enol tautomer of 2-oxododecanoic acid]; major microspecies of the enol tautomer at pH 7.3. It is a medium-chain fatty acid anion, a 2-hydroxy fatty acid anion, a hydroxy monounsaturated fatty acid anion and an enol. It derives from a dodecanoate. It is a conjugate base of a 2-hydroxydodec-2-enoic acid. It is a tautomer of a 2-oxododecanoate.

SMILES: CCCCCCCCC/C=C(\[O-])C(=O)O

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

InChI: InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h10,13H,2-9H2,1H3,(H,14,15)/p-1/b11-10-

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 5.3