potassium;ethyl 3-oxopropanoate;hydride

C5H9KO3 — CID 174389655

IUPACpotassium;ethyl 3-oxopropanoate;hydride
SMILESCCOC(=O)CC=O.[H-].[K+]
InChIInChI=1S/C5H8O3.K.H/c1-2-8-5(7)3-4-6;;/h4H,2-3H2,1H3;;/q;+1;-1
InChIKeyVGSKVMRLYADFHC-UHFFFAOYSA-N
MW156.22 g/mol
LogP-2.74
Rot. Bonds3

About potassium;ethyl 3-oxopropanoate;hydride

potassium;ethyl 3-oxopropanoate;hydride (PubChem CID 174389655) has the molecular formula C5H9KO3 and a molecular weight of 156.22 g/mol. Its IUPAC name is potassium;ethyl 3-oxopropanoate;hydride.

Molecular Properties

Compound Namepotassium;ethyl 3-oxopropanoate;hydride
PubChem CID174389655
Molecular FormulaC5H9KO3
Molecular Weight156.22 g/mol
Exact Mass156.02
IUPAC Namepotassium;ethyl 3-oxopropanoate;hydride
SMILESCCOC(=O)CC=O.[H-].[K+]
InChIInChI=1S/C5H8O3.K.H/c1-2-8-5(7)3-4-6;;/h4H,2-3H2,1H3;;/q;+1;-1
InChIKeyVGSKVMRLYADFHC-UHFFFAOYSA-N
XLogP-2.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 5-2.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of potassium;ethyl 3-oxopropanoate;hydride?
The IUPAC name of potassium;ethyl 3-oxopropanoate;hydride (CID 174389655) is potassium;ethyl 3-oxopropanoate;hydride.
What is the SMILES notation for potassium;ethyl 3-oxopropanoate;hydride?
The canonical SMILES for potassium;ethyl 3-oxopropanoate;hydride is CCOC(=O)CC=O.[H-].[K+].
What is the InChIKey of potassium;ethyl 3-oxopropanoate;hydride?
The InChIKey is VGSKVMRLYADFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.K.H/c1-2-8-5(7)3-4-6;;/h4H,2-3H2,1H3;;/q;+1;-1.
What are the key properties of potassium;ethyl 3-oxopropanoate;hydride?
potassium;ethyl 3-oxopropanoate;hydride has a molecular weight of 156.22 g/mol, XLogP of -2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;ethyl 3-oxopropanoate;hydride is sourced from PubChem (CID 174389655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).