1-ethenyl-4-(4-ethenylphenyl)benzene

• ChemBase ID: 65189
• Molecular Formular: C16H14
• Molecular Mass: 206.28236
• Monoisotopic Mass: 206.10955045
• SMILES: c1c(ccc(c1)c1ccc(cc1)C=C)C=C
• Canonical SMILES: C=Cc1ccc(cc1)c1ccc(cc1)C=C
• InChI: InChI=1S/C16H14/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h3-12H,1-2H2
• InChIKey: IYSVFZBXZVPIFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-4-(4-ethenylphenyl)benzene
• IUPAC Traditional name: 1-ethenyl-4-(4-ethenylphenyl)benzene
• Synonyms: 4,4-Divinyl-p-biphenyl

Database IDs

• CAS Number: 4433-13-0
• MDL Number: MFCD18325139
• PubChem SID: 162030928
• PubChem CID: 10987445

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0938754
• LogD (pH = 7.4): 5.0938754
• Log P: 5.0938754
• Molar Refractivity: 70.5668 cm^3
• Polarizability: 28.632772 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false