Molecule ID: 131841500

IUPAC Name: (4Z,8Z)-4,8-dimethyl-12-oxotrideca-4,8-dienal

Description: The molecule is a sesquiterpenoid that is (4Z,8Z)-4,8-dimethyltrideca-4,8-diene carrying two oxo substituents at positions 1 and 12. A product from bacterial degradation of rubber. It has a role as a bacterial xenobiotic metabolite. It is a methyl ketone, an aliphatic aldehyde, a sesquiterpenoid and an olefinic compound.

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

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

InChI: InChI=1S/C15H24O2/c1-13(9-5-11-15(3)17)7-4-8-14(2)10-6-12-16/h8-9,12H,4-7,10-11H2,1-3H3/b13-9-,14-8-

Molecular Properties:
- Polar Surface Area: 34.1 Ų
- LogP: 3.0