2-ethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine

• ChemBase编号: 54475
• 分子式: C24H41BN2O2Si
• 平均质量: 428.49104
• 单一同位素质量: 428.30303549
• SMILES: c1(cnc2c(c1)cc(n2[Si](C(C)C)(C(C)C)C(C)C)CC)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: CCc1cc2c(n1[Si](C(C)C)(C(C)C)C(C)C)ncc(c2)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C24H41BN2O2Si/c1-12-21-14-19-13-20(25-28-23(8,9)24(10,11)29-25)15-26-22(19)27(21)30(16(2)3,17(4)5)18(6)7/h13-18H,12H2,1-11H3
• InChIKey: BDLOUBMSPOBOQV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine
• IUPAC传统名: 2-ethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)pyrrolo[2,3-b]pyridine
• 别名: 2-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine; 2-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyrid; 2-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine

登记号

• MDL号: MFCD17171341
• PubChem SID: 162059238
• PubChem CID: 49761646

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.829552
• LogD (pH = 7.4): 6.832364
• Log P: 6.8324
• 摩尔折射率: 119.5554 cm^3
• 极化性: 50.790928 Å^3
• 极化表面积: 36.28 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• Empirical Formula (Hill Notation): C24H41BN2O2Si

详细说明

Sigma Aldrich - ADE001085

Other Notes
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