tributyl[(pentamethylphenyl)methyl]phosphanium chloride

• ChemBase编号: 80771
• 分子式: C24H44ClP
• 平均质量: 399.032921
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: tributyl[(pentamethylphenyl)methyl]phosphanium chloride
• IUPAC传统名: tributyl[(pentamethylphenyl)methyl]phosphanium chloride
• 别名: tributyl(2,3,4,5,6-pentamethylbenzyl)phosphonium chloride

登记号

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

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 8.539861
• LogD (pH = 7.4): 8.539861
• Log P: 8.539861
• 摩尔折射率: 119.0326 cm^3
• 极化性: 46.271286 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false