oxaldehyde;2-oxopropanal

C5H6O4 — CID 22114514

IUPACoxaldehyde;2-oxopropanal
SMILESCC(=O)C=O.O=CC=O
InChIInChI=1S/C3H4O2.C2H2O2/c1-3(5)2-4;3-1-2-4/h2H,1H3;1-2H
InChIKeyRAGHYEDMWUCFQM-UHFFFAOYSA-N
MW130.10 g/mol
LogP-0.84
Rot. Bonds2

About oxaldehyde;2-oxopropanal

oxaldehyde;2-oxopropanal (PubChem CID 22114514) has the molecular formula C5H6O4 and a molecular weight of 130.10 g/mol. Its IUPAC name is oxaldehyde;2-oxopropanal.

Molecular Properties

Compound Nameoxaldehyde;2-oxopropanal
PubChem CID22114514
Molecular FormulaC5H6O4
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Nameoxaldehyde;2-oxopropanal
SMILESCC(=O)C=O.O=CC=O
InChIInChI=1S/C3H4O2.C2H2O2/c1-3(5)2-4;3-1-2-4/h2H,1H3;1-2H
InChIKeyRAGHYEDMWUCFQM-UHFFFAOYSA-N
XLogP-0.84
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;2-oxopropanal?
The IUPAC name of oxaldehyde;2-oxopropanal (CID 22114514) is oxaldehyde;2-oxopropanal.
What is the SMILES notation for oxaldehyde;2-oxopropanal?
The canonical SMILES for oxaldehyde;2-oxopropanal is CC(=O)C=O.O=CC=O.
What is the InChIKey of oxaldehyde;2-oxopropanal?
The InChIKey is RAGHYEDMWUCFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.C2H2O2/c1-3(5)2-4;3-1-2-4/h2H,1H3;1-2H.
What are the key properties of oxaldehyde;2-oxopropanal?
oxaldehyde;2-oxopropanal has a molecular weight of 130.10 g/mol, XLogP of -0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxaldehyde;2-oxopropanal is sourced from PubChem (CID 22114514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).