Molecule ID: 5280505

IUPAC Name: [(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-1-enyl] formate

Description: The molecule is an apo carotenoid sesquiterpenoid that consists of a cylohexene ring substituted by methyl groups at positions 2, 6 and 6 and a (1E)-1-(formyloxy)-2-methylbut-1-en-4-yl group at position 2. It has a role as an animal metabolite and a luciferin. It is an apo carotenoid sesquiterpenoid and a formate ester.

SMILES: CC1=C(CC/C(C)=C/OC=O)C(C)(C)CCC1

SELFIES: [C][C][=C][Branch1][O][C][C][/C][Branch1][C][C][=C][/O][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][S]

InChI: InChI=1S/C15H24O2/c1-12(10-17-11-16)7-8-14-13(2)6-5-9-15(14,3)4/h10-11H,5-9H2,1-4H3/b12-10+

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 4.2