cyclobutene

• ChemBase ID: 126796
• Molecular Formular: C4H6
• Molecular Mass: 54.09044
• Monoisotopic Mass: 54.04695019
• SMILES: C1=CCC1
• Canonical SMILES: C1CC=C1
• InChI: InChI=1S/C4H6/c1-2-4-3-1/h1-2H,3-4H2
• InChIKey: CFBGXYDUODCMNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclobutene
• IUPAC Traditional name: cyclobutene
• Synonyms: Cyclobutene

Database IDs

• CAS Number: 822-35-5
• EC Number: 212-496-8
• PubChem SID: 162221124
• PubChem CID: 69972
• CHEBI ID: 51206
• Chemspider ID: 63164
• Wikipedia Title: Cyclobutene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.416353
• LogD (pH = 7.4): 1.416353
• Log P: 1.416353
• Molar Refractivity: 19.5206 cm^3
• Polarizability: 7.1599445 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 2 °C
• Density: 0.733 g/cm^3