potassium di-tert-butyl phosphate

• ChemBase ID: 796484
• Molecular Formular: C8H18KO4P
• Molecular Mass: 248.298181
• Monoisotopic Mass: 248.05797737
• SMILES: O(P(=O)(OC(C)(C)C)[O-])C(C)(C)C.[K+]
• Canonical SMILES: CC(OP(=O)(OC(C)(C)C)[O-])(C)C.[K+]
• InChI: 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
• InChIKey: ZSWXMOQFFWMZQH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium di-tert-butyl phosphate
• IUPAC Traditional name: potassium di-tert-butyl phosphate
• Synonyms: PotassiuM di-tert-butyl phosphate

Database IDs

• CAS Number: 33494-80-3

CALCULATED PROPERTIES

• Acid pKa: 1.8294916
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.51123327
• LogD (pH = 7.4): -0.53238535
• Log P: 1.8437369
• Molar Refractivity: 50.106 cm^3
• Polarizability: 20.542587 Å^3
• Polar Surface Area: 58.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%