Molecule ID: 68057

IUPAC Name: 4,4,7-trimethyl-2,3-dihydro-1H-naphthalene

Description: The molecule is a member of the class of tetralins that is tetralin substituted by methyl groups at positions 1, 1 and 6 respectively. It has a role as a metabolite. It is a member of tetralins and an ortho-fused bicyclic hydrocarbon. It derives from a hydride of a tetralin.

SMILES: Cc1ccc2c(c1)CCCC2(C)C

SELFIES: [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C]

InChI: InChI=1S/C13H18/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h6-7,9H,4-5,8H2,1-3H3

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 4.5