Molecule ID: 1070

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

Description: The molecule is an enal that consists of 3,7-dimethyl-9-nona-2,4,6,8-tetraenal (double bond geometry unspecified) carrying a 2,6,6-trimethylcyclohex-1-en-1-yl group at the 9-position. It has a role as a human metabolite. It is a member of retinals and an enal.

SMILES: CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=O

SELFIES: [C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C][=C][C][=O]

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

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