Molecule ID: 2971

IUPAC Name: 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

Description: The molecule is a member of the class of 1,4-benzoquinones that is 2,3-dimethoxybenzoquinone which has been substituted at positions 5 and 6 by decyl and methyl groups. It has a role as a cofactor. It derives from a 6-decylubiquinol.

SMILES: CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O

SELFIES: [C][C][C][C][C][C][C][C][C][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Ring1][N][=O]

InChI: InChI=1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 6.0