bis(4-tert-butylphenyl)methanone

• ChemBase ID: 287377
• Molecular Formular: C21H26O
• Molecular Mass: 294.43054
• Monoisotopic Mass: 294.19836545
• SMILES: O=C(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
• Canonical SMILES: O=C(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
• InChI: InChI=1S/C21H26O/c1-20(2,3)17-11-7-15(8-12-17)19(22)16-9-13-18(14-10-16)21(4,5)6/h7-14H,1-6H3
• InChIKey: YNPFOBWIQVHZMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-tert-butylphenyl)methanone
• IUPAC Traditional name: bis(4-tert-butylphenyl)methanone
• Synonyms: Bis-(4-tert-butylphenyl)methanone

Database IDs

• CAS Number: 15796-82-4
• PubChem SID: 180672908
• PubChem CID: 2758048

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.5227113
• LogD (pH = 7.4): 6.5227113
• Log P: 6.5227113
• Molar Refractivity: 93.9653 cm^3
• Polarizability: 36.63904 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%; 97%