benzyltributylphosphanium chloride

• ChemBase ID: 82251
• Molecular Formular: C19H34ClP
• Molecular Mass: 328.900021
• Monoisotopic Mass: 328.2086654
• SMILES: [Cl-].[P+](Cc1ccccc1)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[P+](Cc1ccccc1)(CCCC)CCCC.[Cl-]
• InChI: InChI=1S/C19H34P.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1
• InChIKey: WCHPXAFAEZGCMB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyltributylphosphanium chloride
• IUPAC Traditional name: benzyltributylphosphanium chloride
• Synonyms: benzyl(tributyl)phosphonium chloride

Database IDs

• MDL Number: MFCD00775362
• PubChem SID: 162069370
• PubChem CID: 200231

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.9727535
• LogD (pH = 7.4): 5.9727535
• Log P: 5.9727535
• Molar Refractivity: 93.8266 cm^3
• Polarizability: 37.443756 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false