1,6-dimethyl-4-(propan-2-yl)naphthalene

• ChemBase ID: 126309
• Molecular Formular: C15H18
• Molecular Mass: 198.30342
• Monoisotopic Mass: 198.14085058
• SMILES: c12c(ccc(c1ccc(c2)C)C)C(C)C
• Canonical SMILES: Cc1ccc2c(c1)c(ccc2C)C(C)C
• InChI: InChI=1S/C15H18/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-10H,1-4H3
• InChIKey: VMOJIHDTVZTGDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,6-dimethyl-4-(propan-2-yl)naphthalene
• IUPAC Traditional name: cadalene
• Synonyms: Cadalene

Database IDs

• CAS Number: 483-78-3
• PubChem SID: 162220648
• PubChem CID: 10225
• Chemspider ID: 9808
• Unique Ingredient Identifier: 49X2436USB
• Wikipedia Title: Cadalene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2345743
• LogD (pH = 7.4): 5.2345743
• Log P: 5.2345743
• Molar Refractivity: 66.7814 cm^3
• Polarizability: 27.021053 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false