6-(chloromethyl)-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene

• ChemBase ID: 86914
• Molecular Formular: C15H21Cl
• Molecular Mass: 236.78024
• Monoisotopic Mass: 236.13317835
• SMILES: ClCc1ccc2c(c1)C(CCC2(C)C)(C)C
• Canonical SMILES: ClCc1ccc2c(c1)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C15H21Cl/c1-14(2)7-8-15(3,4)13-9-11(10-16)5-6-12(13)14/h5-6,9H,7-8,10H2,1-4H3
• InChIKey: SSAGWEFEPFPFJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(chloromethyl)-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: 6-(chloromethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
• Synonyms: 6-(chloromethyl)-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene

Database IDs

• CAS Number: 163117-71-3
• MDL Number: MFCD00052726
• PubChem SID: 162074030
• PubChem CID: 2800891

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1868744
• LogD (pH = 7.4): 5.1868744
• Log P: 5.1868744
• Molar Refractivity: 71.4545 cm^3
• Polarizability: 27.841864 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: TECH