2-ethyloxirane

C4H8O — CID 7834

IUPAC2-ethyloxirane
SMILESCCC1CO1
InChIInChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3
InChIKeyRBACIKXCRWGCBB-UHFFFAOYSA-N
MW72.11 g/mol
LogP0.80
Rot. Bonds1

About 2-ethyloxirane

2-ethyloxirane (PubChem CID 7834) has the molecular formula C4H8O and a molecular weight of 72.11 g/mol. Its IUPAC name is 2-ethyloxirane.

Molecular Properties

Compound Name2-ethyloxirane
PubChem CID7834
Molecular FormulaC4H8O
Molecular Weight72.11 g/mol
Exact Mass72.06
IUPAC Name2-ethyloxirane
SMILESCCC1CO1
InChIInChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3
InChIKeyRBACIKXCRWGCBB-UHFFFAOYSA-N
XLogP0.80
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.11
LogP ≤ 50.80
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 2-ethyloxirane?
The IUPAC name of 2-ethyloxirane (CID 7834) is 2-ethyloxirane.
What is the SMILES notation for 2-ethyloxirane?
The canonical SMILES for 2-ethyloxirane is CCC1CO1.
What is the InChIKey of 2-ethyloxirane?
The InChIKey is RBACIKXCRWGCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3.
What are the key properties of 2-ethyloxirane?
2-ethyloxirane has a molecular weight of 72.11 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxirane is sourced from PubChem (CID 7834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).