1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene

C4H6O — CID 154574408

IUPAC1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene
SMILES[2H]C([2H])=C([2H])OC([2H])=C([2H])[2H]
InChIInChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2/i1D2,2D2,3D,4D
InChIKeyQYKIQEUNHZKYBP-UFSLNRCZSA-N
MW76.13 g/mol
LogP1.29
Rot. Bonds2

About 1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene

1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene (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 Name1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene
PubChem CID154574408
Molecular FormulaC4H6O
Molecular Weight76.13 g/mol
Exact Mass76.08
IUPAC Name1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene
SMILES[2H]C([2H])=C([2H])OC([2H])=C([2H])[2H]
InChIInChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2/i1D2,2D2,3D,4D
InChIKeyQYKIQEUNHZKYBP-UFSLNRCZSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.13
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene?
The IUPAC name of 1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene (CID 154574408) is 1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene.
What is the SMILES notation for 1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene?
The canonical SMILES for 1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene is [2H]C([2H])=C([2H])OC([2H])=C([2H])[2H].
What is the InChIKey of 1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene?
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 1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene?
1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene 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 1,1,2-trideuterio-2-(1,2,2-trideuterioethenoxy)ethene is sourced from PubChem (CID 154574408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).