potassium 3-ethoxy-2-methyl-3-oxopropanoate

C6H9KO4 — CID 23679020

IUPACpotassium 3-ethoxy-2-methyl-3-oxopropanoate
SMILESCCOC(=O)C(C)C(=O)[O-].[K+]
InChIInChI=1S/C6H10O4.K/c1-3-10-6(9)4(2)5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyXHLZDVTUAWBGGH-UHFFFAOYSA-M
MW184.23 g/mol
LogP-4.06
Rot. Bonds3

About potassium 3-ethoxy-2-methyl-3-oxopropanoate

potassium 3-ethoxy-2-methyl-3-oxopropanoate (PubChem CID 23679020) has the molecular formula C6H9KO4 and a molecular weight of 184.23 g/mol. Its IUPAC name is potassium 3-ethoxy-2-methyl-3-oxopropanoate.

Molecular Properties

Compound Namepotassium 3-ethoxy-2-methyl-3-oxopropanoate
PubChem CID23679020
Molecular FormulaC6H9KO4
Molecular Weight184.23 g/mol
Exact Mass184.01
IUPAC Namepotassium 3-ethoxy-2-methyl-3-oxopropanoate
SMILESCCOC(=O)C(C)C(=O)[O-].[K+]
InChIInChI=1S/C6H10O4.K/c1-3-10-6(9)4(2)5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1
InChIKeyXHLZDVTUAWBGGH-UHFFFAOYSA-M
XLogP-4.06
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 5-4.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-methylpropanedioate;zirconium
CID 174876844
1-O-ethyl 3-O-ethyl 2-methylpropanedioate
CID 123146505
sodium;ethyl 2-methyl-3-oxobutanoate;hydride
CID 173323934
3-ethoxy-2-(fluoromethyl)-3-oxopropanoate
CID 71332400
ethyl 2,4-dimethyl-3-oxohexanoate
CID 165012883
dilithium;2-methylpropanedioate
CID 87066943
potassium 2-ethoxy-2-oxoacetate
CID 23678856
[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium
CID 6932860
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
potassium 2,2-diethoxyacetate
CID 87278402
ethyl 2-hydroxypropanoate;sulfane
CID 162209332

Frequently Asked Questions

What is the IUPAC name of potassium 3-ethoxy-2-methyl-3-oxopropanoate?
The IUPAC name of potassium 3-ethoxy-2-methyl-3-oxopropanoate (CID 23679020) is potassium 3-ethoxy-2-methyl-3-oxopropanoate.
What is the SMILES notation for potassium 3-ethoxy-2-methyl-3-oxopropanoate?
The canonical SMILES for potassium 3-ethoxy-2-methyl-3-oxopropanoate is CCOC(=O)C(C)C(=O)[O-].[K+].
What is the InChIKey of potassium 3-ethoxy-2-methyl-3-oxopropanoate?
The InChIKey is XHLZDVTUAWBGGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O4.K/c1-3-10-6(9)4(2)5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 3-ethoxy-2-methyl-3-oxopropanoate?
potassium 3-ethoxy-2-methyl-3-oxopropanoate has a molecular weight of 184.23 g/mol, XLogP of -4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-ethoxy-2-methyl-3-oxopropanoate is sourced from PubChem (CID 23679020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).