tributyl[(pentamethylphenyl)methyl]phosphanium chloride

• ChemBase ID: 80771
• Molecular Formular: C24H44ClP
• Molecular Mass: 399.032921
• Monoisotopic Mass: 398.28691572
• SMILES: [P+](Cc1c(c(c(c(c1C)C)C)C)C)(CCCC)(CCCC)CCCC.[Cl-]
• Canonical SMILES: CCCC[P+](Cc1c(C)c(C)c(c(c1C)C)C)(CCCC)CCCC.[Cl-]
• InChI: InChI=1S/C24H44P.ClH/c1-9-12-15-25(16-13-10-2,17-14-11-3)18-24-22(7)20(5)19(4)21(6)23(24)8;/h9-18H2,1-8H3;1H/q+1;/p-1
• InChIKey: DEENMQZIEDHQGO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl[(pentamethylphenyl)methyl]phosphanium chloride
• IUPAC Traditional name: tributyl[(pentamethylphenyl)methyl]phosphanium chloride
• Synonyms: tributyl(2,3,4,5,6-pentamethylbenzyl)phosphonium chloride

Database IDs

• MDL Number: MFCD00829826
• PubChem SID: 162067891
• PubChem CID: 2776585

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.539861
• LogD (pH = 7.4): 8.539861
• Log P: 8.539861
• Molar Refractivity: 119.0326 cm^3
• Polarizability: 46.271286 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false