Molecule ID: 102404353

IUPAC Name: (4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6,8-trien-1-ol

Description: The molecule is a retinoid that is all-trans-3,4-didehydroretinol in which the double bond alpha- to the the terminal hydroxy group has been reduced to a single bond. It is a retinoid and a primary alcohol. It derives from an all-trans-3,4-didehydroretinol.

SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)CCO)C(C)(C)CC=C1

SELFIES: [C][C][=C][Branch1][P][/C][=C][/C][Branch1][C][C][=C][/C][=C][/C][Branch1][C][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-12,17,21H,13-15H2,1-5H3/b9-6+,12-11+,16-8+

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.3