oxaldehyde

C2H2O2 — CID 101264835

IUPACoxaldehyde
SMILESO=[13CH][13CH]=O
InChIInChI=1S/C2H2O2/c3-1-2-4/h1-2H/i1+1,2+1
InChIKeyLEQAOMBKQFMDFZ-ZDOIIHCHSA-N
MW60.02 g/mol
LogP-0.62
Rot. Bonds1

About oxaldehyde

oxaldehyde (PubChem CID 101264835) has the molecular formula C2H2O2 and a molecular weight of 60.02 g/mol. Its IUPAC name is oxaldehyde.

Molecular Properties

Compound Nameoxaldehyde
PubChem CID101264835
Molecular FormulaC2H2O2
Molecular Weight60.02 g/mol
Exact Mass60.01
IUPAC Nameoxaldehyde
SMILESO=[13CH][13CH]=O
InChIInChI=1S/C2H2O2/c3-1-2-4/h1-2H/i1+1,2+1
InChIKeyLEQAOMBKQFMDFZ-ZDOIIHCHSA-N
XLogP-0.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.02
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxaldehyde?
The IUPAC name of oxaldehyde (CID 101264835) is oxaldehyde.
What is the SMILES notation for oxaldehyde?
The canonical SMILES for oxaldehyde is O=[13CH][13CH]=O.
What is the InChIKey of oxaldehyde?
The InChIKey is LEQAOMBKQFMDFZ-ZDOIIHCHSA-N. The full InChI is InChI=1S/C2H2O2/c3-1-2-4/h1-2H/i1+1,2+1.
What are the key properties of oxaldehyde?
oxaldehyde has a molecular weight of 60.02 g/mol, XLogP of -0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxaldehyde is sourced from PubChem (CID 101264835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).