potassium ditert-butyl phosphate

C8H18KO4P — CID 23674467

IUPACpotassium ditert-butyl phosphate
SMILESCC(C)(C)OP(=O)([O-])OC(C)(C)C.[K+]
InChIInChI=1S/C8H19O4P.K/c1-7(2,3)11-13(9,10)12-8(4,5)6;/h1-6H3,(H,9,10);/q;+1/p-1
InChIKeyZSWXMOQFFWMZQH-UHFFFAOYSA-M
MW248.30 g/mol
LogP-0.91
Rot. Bonds2

About potassium ditert-butyl phosphate

potassium ditert-butyl phosphate (PubChem CID 23674467) has the molecular formula C8H18KO4P and a molecular weight of 248.30 g/mol. Its IUPAC name is potassium ditert-butyl phosphate.

Molecular Properties

Compound Namepotassium ditert-butyl phosphate
PubChem CID23674467
Molecular FormulaC8H18KO4P
Molecular Weight248.30 g/mol
Exact Mass248.06
IUPAC Namepotassium ditert-butyl phosphate
SMILESCC(C)(C)OP(=O)([O-])OC(C)(C)C.[K+]
InChIInChI=1S/C8H19O4P.K/c1-7(2,3)11-13(9,10)12-8(4,5)6;/h1-6H3,(H,9,10);/q;+1/p-1
InChIKeyZSWXMOQFFWMZQH-UHFFFAOYSA-M
XLogP-0.91
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium ditert-butyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium ditert-butyl phosphate?
The IUPAC name of potassium ditert-butyl phosphate (CID 23674467) is potassium ditert-butyl phosphate.
What is the SMILES notation for potassium ditert-butyl phosphate?
The canonical SMILES for potassium ditert-butyl phosphate is CC(C)(C)OP(=O)([O-])OC(C)(C)C.[K+].
What is the InChIKey of potassium ditert-butyl phosphate?
The InChIKey is ZSWXMOQFFWMZQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19O4P.K/c1-7(2,3)11-13(9,10)12-8(4,5)6;/h1-6H3,(H,9,10);/q;+1/p-1.
What are the key properties of potassium ditert-butyl phosphate?
potassium ditert-butyl phosphate has a molecular weight of 248.30 g/mol, XLogP of -0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium ditert-butyl phosphate is sourced from PubChem (CID 23674467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).