Molecule ID: 5352717

IUPAC Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] octanoate

Description: The molecule is an all-trans-retinyl ester obtained by formal condensation of the carboxy group of octanoic acid with the hydroxy group of all-trans-retinol. It derives from an octanoic acid.

SMILES: CCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

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

InChI: InChI=1S/C28H44O2/c1-7-8-9-10-11-17-27(29)30-22-20-24(3)15-12-14-23(2)18-19-26-25(4)16-13-21-28(26,5)6/h12,14-15,18-20H,7-11,13,16-17,21-22H2,1-6H3/b15-12+,19-18+,23-14+,24-20+

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 9.2