Molecule ID: 5956805

IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] 3-oxobutanoate

Description: The molecule is a monoterpenoid that is the carboxylic ester obtained by the formal condensation of geraniol with acetoacetic acid. It has a role as a human blood serum metabolite. It is a monoterpenoid and a carboxylic ester. It derives from a geraniol and an acetoacetic acid.

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

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

InChI: InChI=1S/C14H22O3/c1-11(2)6-5-7-12(3)8-9-17-14(16)10-13(4)15/h6,8H,5,7,9-10H2,1-4H3/b12-8+

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 3.3