(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)trimethoxysilane

• ChemBase编号: 99282
• 分子式: C15H13F21O3Si
• 平均质量: 668.3138872
• 单一同位素质量: 668.02986343
• SMILES: [Si](OC)(OC)(OC)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: CO[Si](CCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC)OC
• InChI: InChI=1S/C15H13F21O3Si/c1-37-40(38-2,39-3)5-4-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h4-5H2,1-3H3
• InChIKey: VQIWEYGMCDFBSW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)trimethoxysilane
• IUPAC传统名: (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)trimethoxysilane
• 别名: 1-(Trimethoxysilyl)-1H,1H,2H,2H-perfluorododecane; 1H,1H,2H,2H-Perfluorododecyltrimethoxysilane

登记号

• PubChem SID: 162105256
• PubChem CID: 15651658

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 9.329
• LogD (pH = 7.4): 9.329
• Log P: 9.329
• 摩尔折射率: 78.5037 cm^3
• 极化性: 33.032753 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant