tert-butyl[1-ethynyl(2H4)cyclopropoxy]dimethylsilane

• ChemBase编号: 163280
• 分子式: C11H20OSi
• 平均质量: 196.3614
• 单一同位素质量: 196.12834179
• SMILES: C1(CC1)(C#C)O[Si](C)(C(C)(C)C)C
• Canonical SMILES: C#CC1(CC1)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C11H20OSi/c1-7-11(8-9-11)12-13(5,6)10(2,3)4/h1H,8-9H2,2-6H3
• InChIKey: QUZAQDCZJSFOGQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl[1-ethynyl(^2H₄)cyclopropoxy]dimethylsilane
• IUPAC传统名: tert-butyl[1-ethynyl(^2H₄)cyclopropoxy]dimethylsilane
• 别名: 1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-1-ethynyl-cyclopropane-d4; (1,1-Dimethylethyl)[(1-ethynylcyclopropyl)oxy]dimethyl-silane-d4; 1-(tert-Butyldimethylsilyloxy)-1-ethynyl-cyclopropane-d4

登记号

• PubChem SID: 162257415
• PubChem CID: 71314366

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.7039
• LogD (pH = 7.4): 2.7039
• Log P: 2.7039
• 摩尔折射率: 52.7904 cm^3
• 极化性: 22.788813 Å^3
• 极化表面积: 9.23 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

• 溶解度: Dichloromethane; Ethyl Acetate; Methanol