potassium 2-ethoxy-2-oxoacetate

C4H5KO4 — CID 23678856

IUPACpotassium 2-ethoxy-2-oxoacetate
SMILESCCOC(=O)C(=O)[O-].[K+]
InChIInChI=1S/C4H6O4.K/c1-2-8-4(7)3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyRLPQQBNSTHRHEK-UHFFFAOYSA-M
MW156.18 g/mol
LogP-4.70
Rot. Bonds1

About potassium 2-ethoxy-2-oxoacetate

potassium 2-ethoxy-2-oxoacetate (PubChem CID 23678856) has the molecular formula C4H5KO4 and a molecular weight of 156.18 g/mol. Its IUPAC name is potassium 2-ethoxy-2-oxoacetate.

Molecular Properties

Compound Namepotassium 2-ethoxy-2-oxoacetate
PubChem CID23678856
Molecular FormulaC4H5KO4
Molecular Weight156.18 g/mol
Exact Mass155.98
IUPAC Namepotassium 2-ethoxy-2-oxoacetate
SMILESCCOC(=O)C(=O)[O-].[K+]
InChIInChI=1S/C4H6O4.K/c1-2-8-4(7)3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyRLPQQBNSTHRHEK-UHFFFAOYSA-M
XLogP-4.70
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-4.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

azanium 2-ethoxy-2-oxoacetate
CID 141289359
CID 159370772
CID 159370772
hydrazine;2-oxo-2-propoxyacetate
CID 22449370
sodium 3-ethoxy-3-oxoprop-1-en-2-olate
CID 87313714
(E)-3,4-diethoxy-4-oxobut-2-en-2-olate
CID 54690084
ethyl 2-oxo(213C)propanoate
CID 71309469
sodium (Z)-4-ethoxy-2-ethoxycarbonyl-4-oxobut-2-enoate
CID 175971019
potassium 2-nonoxy-2-oxoacetate
CID 102118471
1,4-diethoxy-1,4-dioxobut-2-en-2-olate
CID 4255552
CID 159689459
CID 159689459
ethyl 2-iodo-2-oxoacetate
CID 13205341
diethyl oxalate;ethyl acetate
CID 160900883

Frequently Asked Questions

What is the IUPAC name of potassium 2-ethoxy-2-oxoacetate?
The IUPAC name of potassium 2-ethoxy-2-oxoacetate (CID 23678856) is potassium 2-ethoxy-2-oxoacetate.
What is the SMILES notation for potassium 2-ethoxy-2-oxoacetate?
The canonical SMILES for potassium 2-ethoxy-2-oxoacetate is CCOC(=O)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-ethoxy-2-oxoacetate?
The InChIKey is RLPQQBNSTHRHEK-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O4.K/c1-2-8-4(7)3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1.
What are the key properties of potassium 2-ethoxy-2-oxoacetate?
potassium 2-ethoxy-2-oxoacetate has a molecular weight of 156.18 g/mol, XLogP of -4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-ethoxy-2-oxoacetate is sourced from PubChem (CID 23678856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).