(2S)-2-deuteriooxirane

C2H4O — CID 146033443

IUPAC(2S)-2-deuteriooxirane
SMILES[2H][C@H]1CO1
InChIInChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1D/t1-/m0/s1
InChIKeyIAYPIBMASNFSPL-YUYPMLDFSA-N
MW45.06 g/mol
LogP0.02
Rot. Bonds

About (2S)-2-deuteriooxirane

(2S)-2-deuteriooxirane (PubChem CID 146033443) has the molecular formula C2H4O and a molecular weight of 45.06 g/mol. Its IUPAC name is (2S)-2-deuteriooxirane.

Molecular Properties

Compound Name(2S)-2-deuteriooxirane
PubChem CID146033443
Molecular FormulaC2H4O
Molecular Weight45.06 g/mol
Exact Mass45.03
IUPAC Name(2S)-2-deuteriooxirane
SMILES[2H][C@H]1CO1
InChIInChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1D/t1-/m0/s1
InChIKeyIAYPIBMASNFSPL-YUYPMLDFSA-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 (2S)-2-deuteriooxirane?
The IUPAC name of (2S)-2-deuteriooxirane (CID 146033443) is (2S)-2-deuteriooxirane.
What is the SMILES notation for (2S)-2-deuteriooxirane?
The canonical SMILES for (2S)-2-deuteriooxirane is [2H][C@H]1CO1.
What is the InChIKey of (2S)-2-deuteriooxirane?
The InChIKey is IAYPIBMASNFSPL-YUYPMLDFSA-N. The full InChI is InChI=1S/C2H4O/c1-2-3-1/h1-2H2/i1D/t1-/m0/s1.
What are the key properties of (2S)-2-deuteriooxirane?
(2S)-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 (2S)-2-deuteriooxirane is sourced from PubChem (CID 146033443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).