1-bismacyclopenta-2,4-diene

• ChemBase ID: 126178
• Molecular Formular: C4H4Bi
• Molecular Mass: 261.05496
• Monoisotopic Mass: 261.01169813
• SMILES: C1=C[Bi]C=C1
• Canonical SMILES: [Bi]1C=CC=C1
• InChI: InChI=1S/C4H4.Bi/c1-3-4-2;/h1-4H
• InChIKey: FYYPNBPOYIGOEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bismacyclopenta-2,4-diene
• IUPAC Traditional name: bismole
• Synonyms: Bismole

Database IDs

• CAS Number: 89067-15-2
• PubChem SID: 162220519
• PubChem CID: 18969921
• Chemspider ID: 24751865
• Wikipedia Title: Bismole

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.292
• LogD (pH = 7.4): 0.292
• Log P: 0.292
• Molar Refractivity: 20.1074 cm^3
• Polarizability: 14.843775 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true