Molecule ID: 84800

IUPAC Name: 2-methoxy-6-pentylcyclohexa-2,5-diene-1,4-dione

Description: The molecule is a 1,4-benzoquinone having a methoxy substituent at the 2-position and a pentyl substituent at the 6-position. It has a role as a hapten, a metabolite, an antimicrobial agent, an antifeedant and an allergen.

SMILES: CCCCCC1=CC(=O)C=C(OC)C1=O

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

InChI: InChI=1S/C12H16O3/c1-3-4-5-6-9-7-10(13)8-11(15-2)12(9)14/h7-8H,3-6H2,1-2H3

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 2.6