2-deuterioacetaldehyde

C2H4O — CID 11434906

IUPAC2-deuterioacetaldehyde
SMILES[2H]CC=O
InChIInChI=1S/C2H4O/c1-2-3/h2H,1H3/i1D
InChIKeyIKHGUXGNUITLKF-MICDWDOJSA-N
MW45.06 g/mol
LogP0.21
Rot. Bonds1

About 2-deuterioacetaldehyde

2-deuterioacetaldehyde (PubChem CID 11434906) has the molecular formula C2H4O and a molecular weight of 45.06 g/mol. Its IUPAC name is 2-deuterioacetaldehyde.

Molecular Properties

Compound Name2-deuterioacetaldehyde
PubChem CID11434906
Molecular FormulaC2H4O
Molecular Weight45.06 g/mol
Exact Mass45.03
IUPAC Name2-deuterioacetaldehyde
SMILES[2H]CC=O
InChIInChI=1S/C2H4O/c1-2-3/h2H,1H3/i1D
InChIKeyIKHGUXGNUITLKF-MICDWDOJSA-N
XLogP0.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50045.06
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-deuterioacetaldehyde?
The IUPAC name of 2-deuterioacetaldehyde (CID 11434906) is 2-deuterioacetaldehyde.
What is the SMILES notation for 2-deuterioacetaldehyde?
The canonical SMILES for 2-deuterioacetaldehyde is [2H]CC=O.
What is the InChIKey of 2-deuterioacetaldehyde?
The InChIKey is IKHGUXGNUITLKF-MICDWDOJSA-N. The full InChI is InChI=1S/C2H4O/c1-2-3/h2H,1H3/i1D.
What are the key properties of 2-deuterioacetaldehyde?
2-deuterioacetaldehyde has a molecular weight of 45.06 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterioacetaldehyde is sourced from PubChem (CID 11434906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).