2-ethenyloxirane

C4H6O — CID 13586

IUPAC2-ethenyloxirane
SMILESC=CC1CO1
InChIInChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2
InChIKeyGXBYFVGCMPJVJX-UHFFFAOYSA-N
MW70.09 g/mol
LogP0.57
Rot. Bonds1

About 2-ethenyloxirane

2-ethenyloxirane (PubChem CID 13586) has the molecular formula C4H6O and a molecular weight of 70.09 g/mol. Its IUPAC name is 2-ethenyloxirane.

Molecular Properties

Compound Name2-ethenyloxirane
PubChem CID13586
Molecular FormulaC4H6O
Molecular Weight70.09 g/mol
Exact Mass70.04
IUPAC Name2-ethenyloxirane
SMILESC=CC1CO1
InChIInChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2
InChIKeyGXBYFVGCMPJVJX-UHFFFAOYSA-N
XLogP0.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.09
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-Ethenyloxirane
CID 6999938
(2S)-2-Ethenyloxirane
CID 7568268
trans-2,3-Divinyloxirane
CID 114613
(2R,3R)-2,3-Diethenyloxirane
CID 5324176
cis-2,3-Divinyloxirane
CID 114612
2-Methyl-3-vinyl-oxirane
CID 534094
2,3-Divinyl-oxirane
CID 12381421
2-Ethenyl-3-fluorooxirane
CID 139665602
2-(1-Fluoroethenyl)oxirane
CID 174972687
2,3-Bis(ethenyl)-2-fluorooxirane
CID 178065108
Ethoxyvinyloxirane
CID 129793579
2-(1,2-Propadien-1-yl)oxirane
CID 129860003

Frequently Asked Questions

What is the IUPAC name of 2-ethenyloxirane?
The IUPAC name of 2-ethenyloxirane (CID 13586) is 2-ethenyloxirane.
What is the SMILES notation for 2-ethenyloxirane?
The canonical SMILES for 2-ethenyloxirane is C=CC1CO1.
What is the InChIKey of 2-ethenyloxirane?
The InChIKey is GXBYFVGCMPJVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2.
What are the key properties of 2-ethenyloxirane?
2-ethenyloxirane has a molecular weight of 70.09 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyloxirane is sourced from PubChem (CID 13586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).