2,6-bis[(trimethylsilyl)oxy]bicyclo[3.3.1]nonane-2,6-dicarbonitrile

• ChemBase编号: 80262
• 分子式: C17H30N2O2Si2
• 平均质量: 350.6033
• 单一同位素质量: 350.18458127
• SMILES: N#CC1(C2CC(C(C#N)(O[Si](C)(C)C)CC2)CC1)O[Si](C)(C)C
• Canonical SMILES: N#CC1(CCC2CC1CCC2(C#N)O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C17H30N2O2Si2/c1-22(2,3)20-16(12-18)9-7-15-11-14(16)8-10-17(15,13-19)21-23(4,5)6/h14-15H,7-11H2,1-6H3
• InChIKey: KZHKLJLJVDSJTO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,6-bis[(trimethylsilyl)oxy]bicyclo[3.3.1]nonane-2,6-dicarbonitrile
• IUPAC传统名: 2,6-bis[(trimethylsilyl)oxy]bicyclo[3.3.1]nonane-2,6-dicarbonitrile
• 别名: 2,6-di[(1,1,1-trimethylsilyl)oxy]bicyclo[3.3.1]nonane-2,6-dicarbonitrile

登记号

• MDL号: MFCD00829460
• PubChem SID: 162067382
• PubChem CID: 2775956

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.3579
• LogD (pH = 7.4): 3.3579
• Log P: 3.3579
• 摩尔折射率: 85.1462 cm^3
• 极化性: 37.534737 Å^3
• 极化表面积: 66.04 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true