Molecule ID: 6995517

IUPAC Name: 3,7-dimethylocta-2,6-dienoate

Description: The molecule is major species at pH 7.3. It is an alpha,beta-unsaturated monocarboxylic acid, a methyl-branched fatty acid, a monoterpenoid and a polyunsaturated fatty acid anion.

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

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

InChI: InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/p-1

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 3.7