potassium dimethyl phosphate

C2H6KO4P — CID 23666574

IUPACpotassium dimethyl phosphate
SMILESCOP(=O)([O-])OC.[K+]
InChIInChI=1S/C2H7O4P.K/c1-5-7(3,4)6-2;/h1-2H3,(H,3,4);/q;+1/p-1
InChIKeyWIHYWZHBWIRSAR-UHFFFAOYSA-M
MW164.14 g/mol
LogP-3.25
Rot. Bonds2

About potassium dimethyl phosphate

potassium dimethyl phosphate (PubChem CID 23666574) has the molecular formula C2H6KO4P and a molecular weight of 164.14 g/mol. Its IUPAC name is potassium dimethyl phosphate.

Molecular Properties

Compound Namepotassium dimethyl phosphate
PubChem CID23666574
Molecular FormulaC2H6KO4P
Molecular Weight164.14 g/mol
Exact Mass163.96
IUPAC Namepotassium dimethyl phosphate
SMILESCOP(=O)([O-])OC.[K+]
InChIInChI=1S/C2H7O4P.K/c1-5-7(3,4)6-2;/h1-2H3,(H,3,4);/q;+1/p-1
InChIKeyWIHYWZHBWIRSAR-UHFFFAOYSA-M
XLogP-3.25
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 5-3.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium dimethyl phosphate?
The IUPAC name of potassium dimethyl phosphate (CID 23666574) is potassium dimethyl phosphate.
What is the SMILES notation for potassium dimethyl phosphate?
The canonical SMILES for potassium dimethyl phosphate is COP(=O)([O-])OC.[K+].
What is the InChIKey of potassium dimethyl phosphate?
The InChIKey is WIHYWZHBWIRSAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7O4P.K/c1-5-7(3,4)6-2;/h1-2H3,(H,3,4);/q;+1/p-1.
What are the key properties of potassium dimethyl phosphate?
potassium dimethyl phosphate has a molecular weight of 164.14 g/mol, XLogP of -3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium dimethyl phosphate is sourced from PubChem (CID 23666574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).