2,3-dideuteriooxirane

C2H4O — CID 13000639

IUPAC2,3-dideuteriooxirane
SMILES[2H]C1OC1[2H]
InChIInChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1D,2D
InChIKeyIAYPIBMASNFSPL-QDNHWIQGSA-N
MW46.07 g/mol
LogP0.02
Rot. Bonds

About 2,3-dideuteriooxirane

2,3-dideuteriooxirane (PubChem CID 13000639) has the molecular formula C2H4O and a molecular weight of 46.07 g/mol. Its IUPAC name is 2,3-dideuteriooxirane.

Molecular Properties

Compound Name2,3-dideuteriooxirane
PubChem CID13000639
Molecular FormulaC2H4O
Molecular Weight46.07 g/mol
Exact Mass46.04
IUPAC Name2,3-dideuteriooxirane
SMILES[2H]C1OC1[2H]
InChIInChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1D,2D
InChIKeyIAYPIBMASNFSPL-QDNHWIQGSA-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 ≤ 50046.07
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 2,3-dideuteriooxirane?
The IUPAC name of 2,3-dideuteriooxirane (CID 13000639) is 2,3-dideuteriooxirane.
What is the SMILES notation for 2,3-dideuteriooxirane?
The canonical SMILES for 2,3-dideuteriooxirane is [2H]C1OC1[2H].
What is the InChIKey of 2,3-dideuteriooxirane?
The InChIKey is IAYPIBMASNFSPL-QDNHWIQGSA-N. The full InChI is InChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1D,2D.
What are the key properties of 2,3-dideuteriooxirane?
2,3-dideuteriooxirane has a molecular weight of 46.07 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 2,3-dideuteriooxirane is sourced from PubChem (CID 13000639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).