Molecule ID: 13093115

IUPAC Name: 7-methyl-3-oxooct-6-enoic acid

Description: The molecule is a monounsaturated oxo fatty acid comprising 3-oxooct-6-enoic acid having a methyl substituent at the 7-position. It is a 3-oxo monocarboxylic acid, a branched-chain fatty acid, an oxo fatty acid, a medium-chain fatty acid and a monounsaturated fatty acid.

SMILES: CC(C)=CCCC(=O)CC(=O)O

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

InChI: InChI=1S/C9H14O3/c1-7(2)4-3-5-8(10)6-9(11)12/h4H,3,5-6H2,1-2H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 1.5