cyclobutyne

• ChemBase ID: 126797
• Molecular Formular: C4H4
• Molecular Mass: 52.07456
• Monoisotopic Mass: 52.03130013
• SMILES: C1#CCC1
• Canonical SMILES: C1CC#C1
• InChI: InChI=1S/C4H4/c1-2-4-3-1/h1-2H2
• InChIKey: DRFGMUMDUXDALH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclobutyne
• IUPAC Traditional name: cyclobutyne
• Synonyms: Cyclobutyne

Database IDs

• CAS Number: 1191-94-2
• PubChem SID: 162221125
• PubChem CID: 20072734
• Chemspider ID: 10637133
• Wikipedia Title: Cyclobutyne

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3629813
• LogD (pH = 7.4): 1.3629813
• Log P: 1.3629813
• Molar Refractivity: 17.7654 cm^3
• Polarizability: 6.279557 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true