dipotassium;2,2-dimethylpropanedioate

C5H6K2O4 — CID 87067111

IUPACdipotassium;2,2-dimethylpropanedioate
SMILESCC(C)(C(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C5H8O4.2K/c1-5(2,3(6)7)4(8)9;;/h1-2H3,(H,6,7)(H,8,9);;/q;2*+1/p-2
InChIKeyMVTYPWLHUYZVBS-UHFFFAOYSA-L
MW208.29 g/mol
LogP-8.48
Rot. Bonds2

About dipotassium;2,2-dimethylpropanedioate

dipotassium;2,2-dimethylpropanedioate (PubChem CID 87067111) has the molecular formula C5H6K2O4 and a molecular weight of 208.29 g/mol. Its IUPAC name is dipotassium;2,2-dimethylpropanedioate.

Molecular Properties

Compound Namedipotassium;2,2-dimethylpropanedioate
PubChem CID87067111
Molecular FormulaC5H6K2O4
Molecular Weight208.29 g/mol
Exact Mass207.95
IUPAC Namedipotassium;2,2-dimethylpropanedioate
SMILESCC(C)(C(=O)[O-])C(=O)[O-].[K+].[K+]
InChIInChI=1S/C5H8O4.2K/c1-5(2,3(6)7)4(8)9;;/h1-2H3,(H,6,7)(H,8,9);;/q;2*+1/p-2
InChIKeyMVTYPWLHUYZVBS-UHFFFAOYSA-L
XLogP-8.48
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 5-8.48
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

copper 2,2-dimethylpropanedioate
CID 88802618
dialuminum;tris(2,2-dimethylpropanedioate)
CID 160958498
potassium 2,2-dimethylpropanoate
CID 23662159
tris(2,2-dimethyl-3-oxobutanoate);gold(3+)
CID 23206789
sodium 4-hydroxy-2,2-dimethyl-3,4-dioxobutanoate
CID 142301985
iodanium 2,2-dimethylpropanoate
CID 172810367
2,2-dimethylpropanoate;palladium
CID 146681285
barium(2+);bis(2,2-dimethylpropanoate)
CID 15120173
tris(2,2-dimethylpropanoate);methyltin(3+)
CID 160806145
2-tert-butylsulfanyl-2-oxoacetate
CID 140759614
magnesium 2,2-dichloropropanoate
CID 22770171
(2,2-dimethylpropanoate);docosakis(iron(3+));dodecakis(oxygen(2-));dodecahydroxide
CID 139166121

Frequently Asked Questions

What is the IUPAC name of dipotassium;2,2-dimethylpropanedioate?
The IUPAC name of dipotassium;2,2-dimethylpropanedioate (CID 87067111) is dipotassium;2,2-dimethylpropanedioate.
What is the SMILES notation for dipotassium;2,2-dimethylpropanedioate?
The canonical SMILES for dipotassium;2,2-dimethylpropanedioate is CC(C)(C(=O)[O-])C(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;2,2-dimethylpropanedioate?
The InChIKey is MVTYPWLHUYZVBS-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H8O4.2K/c1-5(2,3(6)7)4(8)9;;/h1-2H3,(H,6,7)(H,8,9);;/q;2*+1/p-2.
What are the key properties of dipotassium;2,2-dimethylpropanedioate?
dipotassium;2,2-dimethylpropanedioate has a molecular weight of 208.29 g/mol, XLogP of -8.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2,2-dimethylpropanedioate is sourced from PubChem (CID 87067111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).