2-deuteriooxirane

C2H4O — CID 57315474

IUPAC2-deuteriooxirane
SMILES[2H]C1CO1
InChIInChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1D
InChIKeyIAYPIBMASNFSPL-MICDWDOJSA-N
MW45.06 g/mol
LogP0.02
Rot. Bonds

About 2-deuteriooxirane

2-deuteriooxirane (PubChem CID 57315474) has the molecular formula C2H4O and a molecular weight of 45.06 g/mol. Its IUPAC name is 2-deuteriooxirane.

Molecular Properties

Compound Name2-deuteriooxirane
PubChem CID57315474
Molecular FormulaC2H4O
Molecular Weight45.06 g/mol
Exact Mass45.03
IUPAC Name2-deuteriooxirane
SMILES[2H]C1CO1
InChIInChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1D
InChIKeyIAYPIBMASNFSPL-MICDWDOJSA-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 ≤ 50045.06
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 2-deuteriooxirane?
The IUPAC name of 2-deuteriooxirane (CID 57315474) is 2-deuteriooxirane.
What is the SMILES notation for 2-deuteriooxirane?
The canonical SMILES for 2-deuteriooxirane is [2H]C1CO1.
What is the InChIKey of 2-deuteriooxirane?
The InChIKey is IAYPIBMASNFSPL-MICDWDOJSA-N. The full InChI is InChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1D.
What are the key properties of 2-deuteriooxirane?
2-deuteriooxirane has a molecular weight of 45.06 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 2-deuteriooxirane is sourced from PubChem (CID 57315474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).