Molecule ID: 4488713

IUPAC Name: 6-oxo-3-prop-1-en-2-ylheptanoic acid

Description: The molecule is a 6-oxo monocarboxylic acid that is heptanoic acid bearing isopropenyl and oxo substituents at positions 3 and 6 respectively. It derives from a heptanoic acid. It is a conjugate acid of a 3-isopropenyl-6-oxoheptanoate.

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

SELFIES: [C][=C][Branch1][C][C][C][Branch1][Branch2][C][C][C][Branch1][C][C][=O][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 1.3