oxirene

• ChemBase ID: 128777
• Molecular Formular: C2H2O
• Molecular Mass: 42.03668
• Monoisotopic Mass: 42.01056468
• SMILES: C1=CO1
• Canonical SMILES: C1=CO1
• InChI: InChI=1S/C2H2O/c1-2-3-1/h1-2H
• InChIKey: BJEYNNFDAPPGST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxirene
• IUPAC Traditional name: oxirene
• Synonyms: acetylene oxide; 1,2-epoxyethene; oxacyclopropene; Oxirene

Database IDs

• CAS Number: 157-18-6
• PubChem SID: 162223081
• PubChem CID: 160438
• Wikipedia Title: Oxirene

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.027089318
• LogD (pH = 7.4): 0.027089318
• Log P: 0.027089318
• Molar Refractivity: 10.4211 cm^3
• Polarizability: 4.143832 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true