6-methyl-1,2,3,4-tetrahydronaphthalene

• ChemBase ID: 294511
• Molecular Formular: C11H14
• Molecular Mass: 146.22886
• Monoisotopic Mass: 146.10955045
• SMILES: Cc1cc2c(CCCC2)cc1
• Canonical SMILES: Cc1ccc2c(c1)CCCC2
• InChI: InChI=1S/C11H14/c1-9-6-7-10-4-2-3-5-11(10)8-9/h6-8H,2-5H2,1H3
• InChIKey: IVIDJLLPQYHHLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: 2-methyl-5,6,7,8-tetrahydronaphthalene
• Synonyms: 6-Methyl-1,2,3,4-tetrahydronaphthalene

Database IDs

• CAS Number: 1680-51-9
• MDL Number: MFCD00216194
• PubChem SID: 180680042
• PubChem CID: 15514

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9389215
• LogD (pH = 7.4): 3.9389215
• Log P: 3.9389215
• Molar Refractivity: 48.5814 cm^3
• Polarizability: 18.634048 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%