cyclobutane

• ChemBase ID: 126794
• Molecular Formular: C4H8
• Molecular Mass: 56.10632
• Monoisotopic Mass: 56.06260026
• SMILES: C1CCC1
• Canonical SMILES: C1CCC1
• InChI: InChI=1S/C4H8/c1-2-4-3-1/h1-4H2
• InChIKey: PMPVIKIVABFJJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclobutane
• IUPAC Traditional name: cyclobutane
• Synonyms: Cyclobutane

Database IDs

• CAS Number: 287-23-0
• PubChem SID: 162221122
• PubChem CID: 9250
• Chemspider ID: 8894
• Wikipedia Title: Cyclobutane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7782747
• LogD (pH = 7.4): 1.7782747
• Log P: 1.7782747
• Molar Refractivity: 18.404 cm^3
• Polarizability: 7.388168 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -91°C
• Boiling Point: 12.5°C
• Density: 0.720 g/cm^3