Molecule ID: 5158539

IUPAC Name: 5-decyl-2,3-dimethylcyclohexa-2,5-diene-1,4-dione

Description: The molecule is a member of the class of 1,4-benzoquinones in which the quinone ring is substituted at positions 2 and 3 by methyl groups and at position 5 by a decyl group. It has a role as a cofactor.

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

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

InChI: InChI=1S/C18H28O2/c1-4-5-6-7-8-9-10-11-12-16-13-17(19)14(2)15(3)18(16)20/h13H,4-12H2,1-3H3

Molecular Properties:
- Polar Surface Area: 34.1 Ų
- LogP: 6.6