acetaldehyde;oxaldehyde

C4H6O3 — CID 22497392

IUPACacetaldehyde;oxaldehyde
SMILESCC=O.O=CC=O
InChIInChI=1S/C2H2O2.C2H4O/c3-1-2-4;1-2-3/h1-2H;2H,1H3
InChIKeyPEFJGUWDOSVAAW-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.41
Rot. Bonds1

About acetaldehyde;oxaldehyde

acetaldehyde;oxaldehyde (PubChem CID 22497392) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is acetaldehyde;oxaldehyde.

Molecular Properties

Compound Nameacetaldehyde;oxaldehyde
PubChem CID22497392
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Nameacetaldehyde;oxaldehyde
SMILESCC=O.O=CC=O
InChIInChI=1S/C2H2O2.C2H4O/c3-1-2-4;1-2-3/h1-2H;2H,1H3
InChIKeyPEFJGUWDOSVAAW-UHFFFAOYSA-N
XLogP-0.41
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 acetaldehyde;oxaldehyde?
The IUPAC name of acetaldehyde;oxaldehyde (CID 22497392) is acetaldehyde;oxaldehyde.
What is the SMILES notation for acetaldehyde;oxaldehyde?
The canonical SMILES for acetaldehyde;oxaldehyde is CC=O.O=CC=O.
What is the InChIKey of acetaldehyde;oxaldehyde?
The InChIKey is PEFJGUWDOSVAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O2.C2H4O/c3-1-2-4;1-2-3/h1-2H;2H,1H3.
What are the key properties of acetaldehyde;oxaldehyde?
acetaldehyde;oxaldehyde has a molecular weight of 102.09 g/mol, XLogP of -0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;oxaldehyde is sourced from PubChem (CID 22497392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).