oxirane

C2H4O — CID 6354

IUPACoxirane
SMILESC1CO1
InChIInChI=1S/C2H4O/c1-2-3-1/h1-2H2
InChIKeyIAYPIBMASNFSPL-UHFFFAOYSA-N
MW44.05 g/mol
LogP0.02
Rot. Bonds

About oxirane

oxirane (PubChem CID 6354) has the molecular formula C2H4O and a molecular weight of 44.05 g/mol. Its IUPAC name is oxirane.

Molecular Properties

Compound Nameoxirane
PubChem CID6354
Molecular FormulaC2H4O
Molecular Weight44.05 g/mol
Exact Mass44.03
IUPAC Nameoxirane
SMILESC1CO1
InChIInChI=1S/C2H4O/c1-2-3-1/h1-2H2
InChIKeyIAYPIBMASNFSPL-UHFFFAOYSA-N
XLogP0.02
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50044.05
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxirane?
The IUPAC name of oxirane (CID 6354) is oxirane.
What is the SMILES notation for oxirane?
The canonical SMILES for oxirane is C1CO1.
What is the InChIKey of oxirane?
The InChIKey is IAYPIBMASNFSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O/c1-2-3-1/h1-2H2.
What are the key properties of oxirane?
oxirane has a molecular weight of 44.05 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane is sourced from PubChem (CID 6354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).