3-ethyldioxirane

C3H6O2 — CID 20507404

IUPAC3-ethyldioxirane
SMILESCCC1OO1
InChIInChI=1S/C3H6O2/c1-2-3-4-5-3/h3H,2H2,1H3
InChIKeyHRYYUDKETINJHF-UHFFFAOYSA-N
MW74.08 g/mol
LogP0.68
Rot. Bonds1

About 3-ethyldioxirane

3-ethyldioxirane (PubChem CID 20507404) has the molecular formula C3H6O2 and a molecular weight of 74.08 g/mol. Its IUPAC name is 3-ethyldioxirane.

Molecular Properties

Compound Name3-ethyldioxirane
PubChem CID20507404
Molecular FormulaC3H6O2
Molecular Weight74.08 g/mol
Exact Mass74.04
IUPAC Name3-ethyldioxirane
SMILESCCC1OO1
InChIInChI=1S/C3H6O2/c1-2-3-4-5-3/h3H,2H2,1H3
InChIKeyHRYYUDKETINJHF-UHFFFAOYSA-N
XLogP0.68
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.08
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyldioxirane?
The IUPAC name of 3-ethyldioxirane (CID 20507404) is 3-ethyldioxirane.
What is the SMILES notation for 3-ethyldioxirane?
The canonical SMILES for 3-ethyldioxirane is CCC1OO1.
What is the InChIKey of 3-ethyldioxirane?
The InChIKey is HRYYUDKETINJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2/c1-2-3-4-5-3/h3H,2H2,1H3.
What are the key properties of 3-ethyldioxirane?
3-ethyldioxirane has a molecular weight of 74.08 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyldioxirane is sourced from PubChem (CID 20507404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).