2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane

C5H8O2 — CID 87227485

IUPAC2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane
SMILES[2H]C([2H])(OC=C)C1([2H])OC1([2H])[2H]
InChIInChI=1S/C5H8O2/c1-2-6-3-5-4-7-5/h2,5H,1,3-4H2/i3D2,4D2,5D
InChIKeyJJRUAPNVLBABCN-ZDGANNJSSA-N
MW105.15 g/mol
LogP0.55
Rot. Bonds3

About 2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane

2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane (PubChem CID 87227485) has the molecular formula C5H8O2 and a molecular weight of 105.15 g/mol. Its IUPAC name is 2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane.

Molecular Properties

Compound Name2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane
PubChem CID87227485
Molecular FormulaC5H8O2
Molecular Weight105.15 g/mol
Exact Mass105.08
IUPAC Name2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane
SMILES[2H]C([2H])(OC=C)C1([2H])OC1([2H])[2H]
InChIInChI=1S/C5H8O2/c1-2-6-3-5-4-7-5/h2,5H,1,3-4H2/i3D2,4D2,5D
InChIKeyJJRUAPNVLBABCN-ZDGANNJSSA-N
XLogP0.55
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.15
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane?
The IUPAC name of 2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane (CID 87227485) is 2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane.
What is the SMILES notation for 2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane?
The canonical SMILES for 2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane is [2H]C([2H])(OC=C)C1([2H])OC1([2H])[2H].
What is the InChIKey of 2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane?
The InChIKey is JJRUAPNVLBABCN-ZDGANNJSSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-6-3-5-4-7-5/h2,5H,1,3-4H2/i3D2,4D2,5D.
What are the key properties of 2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane?
2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane has a molecular weight of 105.15 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trideuterio-3-[dideuterio(ethenoxy)methyl]oxirane is sourced from PubChem (CID 87227485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).