5-methylidenecyclopenta-1,3-diene

• ChemBase ID: 127493
• Molecular Formular: C6H6
• Molecular Mass: 78.11184
• Monoisotopic Mass: 78.04695019
• SMILES: C=C1C=CC=C1
• Canonical SMILES: C=C1C=CC=C1
• InChI: InChI=1S/C6H6/c1-6-4-2-3-5-6/h2-5H,1H2
• InChIKey: PGTKVMVZBBZCKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylidenecyclopenta-1,3-diene
• IUPAC Traditional name: fulvene
• Synonyms: 5-Methylene-1,3-cyclopentadiene; Fulvene

Database IDs

• CAS Number: 497-20-1
• PubChem SID: 162221812
• PubChem CID: 136323
• CHEBI ID: 51999
• Chemspider ID: 120097
• Wikipedia Title: Fulvene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4383733
• LogD (pH = 7.4): 1.4383733
• Log P: 1.4383733
• Molar Refractivity: 29.5643 cm^3
• Polarizability: 10.40422 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true