1,10-diphenyldecane-1,10-dione

• ChemBase ID: 10683
• Molecular Formular: C22H26O2
• Molecular Mass: 322.44064
• Monoisotopic Mass: 322.19328007
• SMILES: c1(C(=O)CCCCCCCCC(=O)c2ccccc2)ccccc1
• Canonical SMILES: O=C(c1ccccc1)CCCCCCCCC(=O)c1ccccc1
• InChI: InChI=1S/C22H26O2/c23-21(19-13-7-5-8-14-19)17-11-3-1-2-4-12-18-22(24)20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2
• InChIKey: QQBFTUFGJSWZTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,10-diphenyldecane-1,10-dione
• IUPAC Traditional name: 1,10-diphenyldecane-1,10-dione
• Synonyms: 1,8-Dibenzoyloctane

Database IDs

• CAS Number: 6268-61-7
• MDL Number: MFCD00046772
• PubChem SID: 160973990
• PubChem CID: 235184

CALCULATED PROPERTIES

• Acid pKa: 16.849455
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.777407
• LogD (pH = 7.4): 5.777407
• Log P: 5.777407
• Molar Refractivity: 98.7772 cm^3
• Polarizability: 38.48352 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%