dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate

C4H2K2O6 — CID 159492381

IUPACdipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate
SMILESO=C(O)/C([O-])=C(/[O-])C(=O)O.[K+].[K+]
InChIInChI=1S/C4H4O6.2K/c5-1(3(7)8)2(6)4(9)10;;/h5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2/b2-1-;;
InChIKeyLYIXEZUAVLOQIM-UAIGNFCESA-L
MW224.25 g/mol
LogP-8.90
Rot. Bonds2

About dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate

dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate (PubChem CID 159492381) has the molecular formula C4H2K2O6 and a molecular weight of 224.25 g/mol. Its IUPAC name is dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate.

Molecular Properties

Compound Namedipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate
PubChem CID159492381
Molecular FormulaC4H2K2O6
Molecular Weight224.25 g/mol
Exact Mass223.91
IUPAC Namedipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate
SMILESO=C(O)/C([O-])=C(/[O-])C(=O)O.[K+].[K+]
InChIInChI=1S/C4H4O6.2K/c5-1(3(7)8)2(6)4(9)10;;/h5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2/b2-1-;;
InChIKeyLYIXEZUAVLOQIM-UAIGNFCESA-L
XLogP-8.90
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-8.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

hydron;2-hydroxy-2-oxoacetate
CID 173323775
sodium;2-hydroxy-2-oxoacetate;hydrochloride
CID 141113765
azane;hydron;2-hydroxy-2-oxoacetate
CID 173005395
bis(2-hydroxy-2-oxoacetate);oxotitanium
CID 50910318
lithium;2-hydroxy-2-oxoacetate;oxalic acid
CID 158730065
dicesium;oxalate;oxalic acid
CID 139047243
decapotassium;carbonic acid;pentacarbonate
CID 173334932
icosapotassium;carbonic acid;hydrogen carbonate
CID 173305158
dipotassium;2-hydroxy-2-oxoacetate;nitrite
CID 176892574
sodium;2-hydroxy-2-oxoacetate;phosphoric acid
CID 159452924
cesium oxalate
CID 53436195
chromium(6+);oxalate
CID 138397959

Frequently Asked Questions

What is the IUPAC name of dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate?
The IUPAC name of dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate (CID 159492381) is dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate.
What is the SMILES notation for dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate?
The canonical SMILES for dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate is O=C(O)/C([O-])=C(/[O-])C(=O)O.[K+].[K+].
What is the InChIKey of dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate?
The InChIKey is LYIXEZUAVLOQIM-UAIGNFCESA-L. The full InChI is InChI=1S/C4H4O6.2K/c5-1(3(7)8)2(6)4(9)10;;/h5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2/b2-1-;;.
What are the key properties of dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate?
dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate has a molecular weight of 224.25 g/mol, XLogP of -8.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(Z)-1,4-dihydroxy-1,4-dioxobut-2-ene-2,3-diolate is sourced from PubChem (CID 159492381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).