Molecule ID: 91722674

IUPAC Name: 1,1,5-trimethyl-2H-naphthalene

Description: The molecule is an ortho-fused bicyclic hydrocarbon that is 1,2-dihydronaphthalene substituted by methyl groups at positions 1, 1 and 5 respectively. It has a role as a metabolite. It is an ortho-fused bicyclic hydrocarbon and a member of dihydronaphthalenes. It derives from a hydride of a 1,2-dihydronaphthalene.

SMILES: Cc1cccc2c1C=CCC2(C)C

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

InChI: InChI=1S/C13H16/c1-10-6-4-8-12-11(10)7-5-9-13(12,2)3/h4-8H,9H2,1-3H3

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 4.2