Trideuterovinyl ether

C₄H₆O — CID 154574408

About Trideuterovinyl ether

Trideuterovinyl ether (PubChem CID 154574408) has the molecular formula C₄H₆O and a molecular weight of 76.13 g/mol. Its IUPAC name is 1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene.

Molecular Properties

• Compound Name: Trideuterovinyl ether
• PubChem CID: 154574408
• Molecular Formula: C₄H₆O
• Molecular Weight: 76.13 g/mol
• Exact Mass: 76.08
• IUPAC Name: 1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene
• SMILES: [2H]C([2H])=C([2H])OC([2H])=C([2H])[2H]
• InChI: InChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2/i1D2,2D2,3D,4D
• InChIKey: QYKIQEUNHZKYBP-UFSLNRCZSA-N
• XLogP: 1.29
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 5
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	76.13
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Trideuterovinyl ether?

The IUPAC name of Trideuterovinyl ether (CID 154574408) is 1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene.

What is the SMILES notation for Trideuterovinyl ether?

The canonical SMILES for Trideuterovinyl ether is [2H]C([2H])=C([2H])OC([2H])=C([2H])[2H].

What is the InChIKey of Trideuterovinyl ether?

The InChIKey is QYKIQEUNHZKYBP-UFSLNRCZSA-N. The full InChI is InChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2/i1D2,2D2,3D,4D.

What are the key properties of Trideuterovinyl ether?

Trideuterovinyl ether has a molecular weight of 76.13 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Trideuterovinyl ether is sourced from PubChem (CID 154574408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154574408 — identifiers, structure, computed properties (public domain)

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