oxaldehyde

C2H2O2 — CID 7860

IUPACoxaldehyde
SMILESO=CC=O
InChIInChI=1S/C2H2O2/c3-1-2-4/h1-2H
InChIKeyLEQAOMBKQFMDFZ-UHFFFAOYSA-N
MW58.04 g/mol
LogP-0.62
Rot. Bonds1

About oxaldehyde

oxaldehyde (PubChem CID 7860) has the molecular formula C2H2O2 and a molecular weight of 58.04 g/mol. Its IUPAC name is oxaldehyde.

Molecular Properties

Compound Nameoxaldehyde
PubChem CID7860
Molecular FormulaC2H2O2
Molecular Weight58.04 g/mol
Exact Mass58.01
IUPAC Nameoxaldehyde
SMILESO=CC=O
InChIInChI=1S/C2H2O2/c3-1-2-4/h1-2H
InChIKeyLEQAOMBKQFMDFZ-UHFFFAOYSA-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 ≤ 50058.04
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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Related Compounds

Formaldehyde acetaldehyde
CID 162218
Oxoacetyl fluoride
CID 20143883
Di-deuteroglyoxal
CID 12215931
Glyoxal Formaldehyd
CID 19033815
Glyoxal hydrate
CID 21880647
Glyoxal-d
CID 101264834
Glyoxaloxid
CID 129690300
(2-Oxoethylidene)oxidanium
CID 59083781
2-Oxoacetaldehyde
CID 71775098
Sodium;oxaldehyde;hydroxide
CID 19869295
Oxaldehyde;sulfane
CID 20192709
Acetaldehyde;methanone;tungsten(2+)
CID 20593623

Frequently Asked Questions

What is the IUPAC name of oxaldehyde?
The IUPAC name of oxaldehyde (CID 7860) is oxaldehyde.
What is the SMILES notation for oxaldehyde?
The canonical SMILES for oxaldehyde is O=CC=O.
What is the InChIKey of oxaldehyde?
The InChIKey is LEQAOMBKQFMDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O2/c3-1-2-4/h1-2H.
What are the key properties of oxaldehyde?
oxaldehyde has a molecular weight of 58.04 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 7860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).