Molecule ID: 276204

IUPAC Name: 2-methyl-3-(3-methylbut-2-enyl)naphthalene-1,4-dione

Description: The molecule is any member of the class of menaquinones that is 2-methyl-1,4-naphthoquinone with an unsaturated isoprenoid chain at the 3-position. It has a role as an Escherichia coli metabolite.

SMILES: CC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O

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

InChI: InChI=1S/C16H16O2/c1-10(2)8-9-12-11(3)15(17)13-6-4-5-7-14(13)16(12)18/h4-8H,9H2,1-3H3

Molecular Properties:
- Polar Surface Area: 34.1 Ų
- LogP: 3.4