Ethanol;oxaldehyde

C4H8O3 — CID 87382899

IUPACethanol;oxaldehyde
SMILESCCO.C(=O)C=O
InChIInChI=1S/C2H2O2.C2H6O/c3-1-2-4;1-2-3/h1-2H;3H,2H2,1H3
InChIKeyLGHFQBJNNDNREN-UHFFFAOYSA-N
MW104.10 g/mol
LogP—
Rot. Bonds1

About Ethanol;oxaldehyde

Ethanol;oxaldehyde (PubChem CID 87382899) has the molecular formula C4H8O3 and a molecular weight of 104.10 g/mol. Its IUPAC name is ethanol;oxaldehyde.

Molecular Properties

Compound NameEthanol;oxaldehyde
PubChem CID87382899
Molecular FormulaC4H8O3
Molecular Weight104.10 g/mol
Exact Mass104.05
IUPAC Nameethanol;oxaldehyde
SMILESCCO.C(=O)C=O
InChIInChI=1S/C2H2O2.C2H6O/c3-1-2-4;1-2-3/h1-2H;3H,2H2,1H3
InChIKeyLGHFQBJNNDNREN-UHFFFAOYSA-N
XLogP—
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity27

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.10
H-Bond Donors ≤ 51
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 Ethanol;oxaldehyde?
The IUPAC name of Ethanol;oxaldehyde (CID 87382899) is ethanol;oxaldehyde.
What is the SMILES notation for Ethanol;oxaldehyde?
The canonical SMILES for Ethanol;oxaldehyde is CCO.C(=O)C=O.
What is the InChIKey of Ethanol;oxaldehyde?
The InChIKey is LGHFQBJNNDNREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O2.C2H6O/c3-1-2-4;1-2-3/h1-2H;3H,2H2,1H3.
What are the key properties of Ethanol;oxaldehyde?
Ethanol;oxaldehyde has a molecular weight of 104.10 g/mol, XLogP of not available, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Ethanol;oxaldehyde is sourced from PubChem (CID 87382899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).