5-(cyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene

• ChemBase ID: 127492
• Molecular Formular: C10H8
• Molecular Mass: 128.17052
• Monoisotopic Mass: 128.06260026
• SMILES: C1=C/C(=C/2\C=CC=C2)/C=C1
• Canonical SMILES: C1=C/C(=C/2\C=CC=C2)/C=C1
• InChI: InChI=1S/C10H8/c1-2-6-9(5-1)10-7-3-4-8-10/h1-8H
• InChIKey: XEOSBIMHSUFHQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(cyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene
• IUPAC Traditional name: fulvalene
• Synonyms: Bicyclopentyliden-2,4,2',4'-tetraene; 1,1'-Bi[cylopentadienylidene]; Pentafulvalene; Bicyclopentadienylidene; [5,5']Bicyclopentadienylidene; Fulvalene

Database IDs

• CAS Number: 91-12-3
• PubChem SID: 162221811
• PubChem CID: 10908294
• CHEBI ID: 51994
• Chemspider ID: 9083553
• Wikipedia Title: Fulvalene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7699376
• LogD (pH = 7.4): 1.7699376
• Log P: 1.7699376
• Molar Refractivity: 49.1528 cm^3
• Polarizability: 16.586544 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true