4-(tert-butyldimethylsilyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine

• ChemBase编号: 801419
• 分子式: C16H29BN2O2Si
• 平均质量: 320.31016
• 单一同位素质量: 320.20913511
• SMILES: CC1(C)OB(OC1(C)C)c1cnncc1[Si](C)(C)C(C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cnncc1[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C16H29BN2O2Si/c1-14(2,3)22(8,9)13-11-19-18-10-12(13)17-20-15(4,5)16(6,7)21-17/h10-11H,1-9H3
• InChIKey: LSFUVIGGBFBMLA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(tert-butyldimethylsilyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine
• IUPAC传统名: 4-(tert-butyldimethylsilyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine
• 别名: 5-(TERT-BUTYLDIMETHYLSILYL)PYRIDAZINE-4-BORONIC ACID, PINACOL ESTER

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.353896
• LogD (pH = 7.4): 3.3539
• Log P: 3.3539
• 摩尔折射率: 83.4363 cm^3
• 极化性: 36.2003 Å^3
• 极化表面积: 44.24 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%