dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid

C5H14K2O10P2 — CID 175317557

IUPACdipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid
SMILESCC(C)(C)C(=O)O.O=P([O-])(O)O.O=P([O-])(O)O.[K+].[K+]
InChIInChI=1S/C5H10O2.2K.2H3O4P/c1-5(2,3)4(6)7;;;2*1-5(2,3)4/h1-3H3,(H,6,7);;;2*(H3,1,2,3,4)/q;2*+1;;/p-2
InChIKeyUOLGJHGCFOZMTL-UHFFFAOYSA-L
MW374.30 g/mol
LogP-8.00
Rot. Bonds

About dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid

dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid (PubChem CID 175317557) has the molecular formula C5H14K2O10P2 and a molecular weight of 374.30 g/mol. Its IUPAC name is dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid.

Molecular Properties

Compound Namedipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid
PubChem CID175317557
Molecular FormulaC5H14K2O10P2
Molecular Weight374.30 g/mol
Exact Mass373.93
IUPAC Namedipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid
SMILESCC(C)(C)C(=O)O.O=P([O-])(O)O.O=P([O-])(O)O.[K+].[K+]
InChIInChI=1S/C5H10O2.2K.2H3O4P/c1-5(2,3)4(6)7;;;2*1-5(2,3)4/h1-3H3,(H,6,7);;;2*(H3,1,2,3,4)/q;2*+1;;/p-2
InChIKeyUOLGJHGCFOZMTL-UHFFFAOYSA-L
XLogP-8.00
TPSA198.48 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.30
LogP ≤ 5-8.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropanoic acid
CID 87781698
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
2,2-dimethylpropanoic acid;rhenium;chloride
CID 25015528
magnesium;2,2-dimethylpropanoic acid;hydride
CID 173170298
potassium;dihydrogen phosphate;hexahydrofluoride
CID 172717115
dipotassium;bis(dihydrogen phosphate);phosphoric acid
CID 19756002
potassium;dihydrogen phosphate;2-hydroxypropanoic acid
CID 174779739
3,3-dimethylbutan-2-one;2,2-dimethylpropanoic acid
CID 162191705
potassium;sodium;dihydrogen phosphate;chloride
CID 161315092
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
potassium;barium(2+);dihydrogen phosphate;dihydroxide
CID 175597412

Frequently Asked Questions

What is the IUPAC name of dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid?
The IUPAC name of dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid (CID 175317557) is dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid.
What is the SMILES notation for dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid?
The canonical SMILES for dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid is CC(C)(C)C(=O)O.O=P([O-])(O)O.O=P([O-])(O)O.[K+].[K+].
What is the InChIKey of dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid?
The InChIKey is UOLGJHGCFOZMTL-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H10O2.2K.2H3O4P/c1-5(2,3)4(6)7;;;2*1-5(2,3)4/h1-3H3,(H,6,7);;;2*(H3,1,2,3,4)/q;2*+1;;/p-2.
What are the key properties of dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid?
dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid has a molecular weight of 374.30 g/mol, XLogP of -8.00, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;bis(dihydrogen phosphate);2,2-dimethylpropanoic acid is sourced from PubChem (CID 175317557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).