tert-butyldimethyl[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]silane

• ChemBase编号: 140038
• 分子式: C14H27BO2Si
• 平均质量: 266.25948
• 单一同位素质量: 266.18733704
• SMILES: B1(OC(C(O1)(C)C)(C)C)C#C[Si](C)(C)C(C)(C)C
• Canonical SMILES: C[Si](C(C)(C)C)(C#CB1OC(C(O1)(C)C)(C)C)C
• InChI: InChI=1S/C14H27BO2Si/c1-12(2,3)18(8,9)11-10-15-16-13(4,5)14(6,7)17-15/h1-9H3
• InChIKey: LBGATPGTEQCHFP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyldimethyl[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]silane
• IUPAC传统名: tert-butyldimethyl[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]silane
• 别名: 2-((叔丁基二甲基硅烷基)乙炔基)-4,4,5,5-四甲基-(1,3,2)二氧杂硼烷; 2-((叔丁基二甲基硅烷基)乙炔基)硼酸频哪醇酯; 2-[2-[(1,1-Dimethylethyl)dimethylsilyl]ethynyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-((tert-Butyldimethylsilanyl)ethynyl)-4,4,5,5-tetramethyl-(1,3,2)dioxaborolane; 2-((tert-Butyldimethylsilanyl)ethynyl) boronic acid pinacol ester

登记号

• CAS号: 1073355-02-8
• MDL号: MFCD09265092
• PubChem SID: 24884862; 162234283
• PubChem CID: 16218191

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.8285
• LogD (pH = 7.4): 4.8285
• Log P: 4.8285
• 摩尔折射率: 66.2393 cm^3
• 极化性: 30.99433 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 159-164 °C

安全信息

• 德国WGK号: 3
• 保存温度: -20°C

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C14H27BO2Si

详细说明

Sigma Aldrich - 676659

包装
1, 5 g in glass bottle