potassium 3-methoxy-3-oxopropanoate

C4H5KO4 — CID 2724687

IUPACpotassium 3-methoxy-3-oxopropanoate
SMILESCOC(=O)CC(=O)[O-].[K+]
InChIInChI=1S/C4H6O4.K/c1-8-4(7)2-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyWWTULTKUWBKVGV-UHFFFAOYSA-M
MW156.18 g/mol
LogP-4.70
Rot. Bonds2

About potassium 3-methoxy-3-oxopropanoate

potassium 3-methoxy-3-oxopropanoate (PubChem CID 2724687) has the molecular formula C4H5KO4 and a molecular weight of 156.18 g/mol. Its IUPAC name is potassium 3-methoxy-3-oxopropanoate.

Molecular Properties

Compound Namepotassium 3-methoxy-3-oxopropanoate
PubChem CID2724687
Molecular FormulaC4H5KO4
Molecular Weight156.18 g/mol
Exact Mass155.98
IUPAC Namepotassium 3-methoxy-3-oxopropanoate
SMILESCOC(=O)CC(=O)[O-].[K+]
InChIInChI=1S/C4H6O4.K/c1-8-4(7)2-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyWWTULTKUWBKVGV-UHFFFAOYSA-M
XLogP-4.70
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Diethyl Malonate
CID 7761
Dimethyl malonate
CID 7943
Dimethyl fluoromalonate
CID 2737111
Dimethyl methylmalonate
CID 69104
Dimethylpropanedioic acid dimethyl ester
CID 138651
3-Methoxy-3-oxopropanoic acid
CID 538366
Potassium ethyl malonate
CID 3446434
Diethyl malonate-d2
CID 12197541
Diethyl malonate-2-13C
CID 12197542
1-Ethyl 3-methyl malonate
CID 278506
Trimethyl methanetricarboxylate
CID 136922
Diethyl malonate-1,3-13C2
CID 12197544

Frequently Asked Questions

What is the IUPAC name of potassium 3-methoxy-3-oxopropanoate?
The IUPAC name of potassium 3-methoxy-3-oxopropanoate (CID 2724687) is potassium 3-methoxy-3-oxopropanoate.
What is the SMILES notation for potassium 3-methoxy-3-oxopropanoate?
The canonical SMILES for potassium 3-methoxy-3-oxopropanoate is COC(=O)CC(=O)[O-].[K+].
What is the InChIKey of potassium 3-methoxy-3-oxopropanoate?
The InChIKey is WWTULTKUWBKVGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O4.K/c1-8-4(7)2-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1.
What are the key properties of potassium 3-methoxy-3-oxopropanoate?
potassium 3-methoxy-3-oxopropanoate has a molecular weight of 156.18 g/mol, XLogP of -4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-methoxy-3-oxopropanoate is sourced from PubChem (CID 2724687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).