1,4-dimethyl-1,2,3,4-tetrahydronaphthalene

• ChemBase ID: 111411
• Molecular Formular: C12H16
• Molecular Mass: 160.25544
• Monoisotopic Mass: 160.12520051
• SMILES: CC1CCC(C)c2ccccc12
• Canonical SMILES: CC1CCC(c2c1cccc2)C
• InChI: InChI=1S/C12H16/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-6,9-10H,7-8H2,1-2H3
• InChIKey: KNQXALMJMHIHQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dimethyl-1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: 1,4-dimethyl-1,2,3,4-tetrahydronaphthalene
• Synonyms: 1,4-DIMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE

Database IDs

• CAS Number: 4175-54-6
• PubChem SID: 162103254
• PubChem CID: 138145

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9995382
• LogD (pH = 7.4): 3.9995382
• Log P: 3.9995382
• Molar Refractivity: 52.6374 cm^3
• Polarizability: 20.561941 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true