Molecule ID: 6436079

IUPAC Name: (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal

Description: The molecule is a retinal in which the double bond alpha- to the aldehyde group has cis configuration, whilst the remaining acyclic double bonds have trans configuration. It has a role as a human metabolite.

SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=O)C(C)(C)CCC1

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/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13-

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 6.2