Molecule ID: 10402

IUPAC Name: 3,7-dimethyloct-6-enoic acid

Description: The molecule is a monounsaturated fatty acid that is oct-6-enoic acid carrying methyl groups at positions 3 and 7. It has a role as a plant metabolite and a flavouring agent. It is a monoterpenoid, a medium-chain fatty acid and a monounsaturated fatty acid. It derives from a citronellal.

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]

InChI: InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 3.0