dipotassium;ethyl acetate;hydrogen phosphate

C4H9K2O6P — CID 174841832

IUPACdipotassium;ethyl acetate;hydrogen phosphate
SMILESCCOC(C)=O.O=P([O-])([O-])O.[K+].[K+]
InChIInChI=1S/C4H8O2.2K.H3O4P/c1-3-6-4(2)5;;;1-5(2,3)4/h3H2,1-2H3;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyZIJTWTVSRJQQIV-UHFFFAOYSA-L
MW262.28 g/mol
LogP-7.62
Rot. Bonds1

About dipotassium;ethyl acetate;hydrogen phosphate

dipotassium;ethyl acetate;hydrogen phosphate (PubChem CID 174841832) has the molecular formula C4H9K2O6P and a molecular weight of 262.28 g/mol. Its IUPAC name is dipotassium;ethyl acetate;hydrogen phosphate.

Molecular Properties

Compound Namedipotassium;ethyl acetate;hydrogen phosphate
PubChem CID174841832
Molecular FormulaC4H9K2O6P
Molecular Weight262.28 g/mol
Exact Mass261.94
IUPAC Namedipotassium;ethyl acetate;hydrogen phosphate
SMILESCCOC(C)=O.O=P([O-])([O-])O.[K+].[K+]
InChIInChI=1S/C4H8O2.2K.H3O4P/c1-3-6-4(2)5;;;1-5(2,3)4/h3H2,1-2H3;;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyZIJTWTVSRJQQIV-UHFFFAOYSA-L
XLogP-7.62
TPSA109.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 5-7.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipotassium;ethyl acetate;hydrogen phosphate?
The IUPAC name of dipotassium;ethyl acetate;hydrogen phosphate (CID 174841832) is dipotassium;ethyl acetate;hydrogen phosphate.
What is the SMILES notation for dipotassium;ethyl acetate;hydrogen phosphate?
The canonical SMILES for dipotassium;ethyl acetate;hydrogen phosphate is CCOC(C)=O.O=P([O-])([O-])O.[K+].[K+].
What is the InChIKey of dipotassium;ethyl acetate;hydrogen phosphate?
The InChIKey is ZIJTWTVSRJQQIV-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8O2.2K.H3O4P/c1-3-6-4(2)5;;;1-5(2,3)4/h3H2,1-2H3;;;(H3,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of dipotassium;ethyl acetate;hydrogen phosphate?
dipotassium;ethyl acetate;hydrogen phosphate has a molecular weight of 262.28 g/mol, XLogP of -7.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;ethyl acetate;hydrogen phosphate is sourced from PubChem (CID 174841832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).