2H-oxete

• ChemBase ID: 128774
• Molecular Formular: C3H4O
• Molecular Mass: 56.06326
• Monoisotopic Mass: 56.02621475
• SMILES: O1C=CC1
• Canonical SMILES: C1OC=C1
• InChI: InChI=1S/C3H4O/c1-2-4-3-1/h1-2H,3H2
• InChIKey: CRYATLIDHPPXDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H-oxete
• IUPAC Traditional name: oxetene
• Synonyms: Oxetene

Database IDs

• Beilstein Number: 4652799
• PubChem SID: 162223078
• PubChem CID: 11970569
• CHEBI ID: 51195
• Chemspider ID: 10143952
• Wikipedia Title: Oxetene

CALCULATED PROPERTIES

• Acid pKa: 14.935347
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.25366473
• LogD (pH = 7.4): 0.25366473
• Log P: 0.25366473
• Molar Refractivity: 15.8916 cm^3
• Polarizability: 5.978189 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true