4-{[(tert-butyldimethylsilyl)oxy]methyl}-2-chloro-3-(dimethoxymethyl)pyridine

• ChemBase编号: 44885
• 分子式: C15H26ClNO3Si
• 平均质量: 331.91034
• 单一同位素质量: 331.13704791
• SMILES: c1cnc(c(c1CO[Si](C(C)(C)C)(C)C)C(OC)OC)Cl
• Canonical SMILES: COC(c1c(ccnc1Cl)CO[Si](C(C)(C)C)(C)C)OC
• InChI: InChI=1S/C15H26ClNO3Si/c1-15(2,3)21(6,7)20-10-11-8-9-17-13(16)12(11)14(18-4)19-5/h8-9,14H,10H2,1-7H3
• InChIKey: JITGZOPYNOGRBO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{[(tert-butyldimethylsilyl)oxy]methyl}-2-chloro-3-(dimethoxymethyl)pyridine
• IUPAC传统名: 4-{[(tert-butyldimethylsilyl)oxy]methyl}-2-chloro-3-(dimethoxymethyl)pyridine
• 别名: 4-((tert-Butyldimethylsilyloxy)methyl)-2-chloro-3-(dimethoxymethyl)pyridine; 4-((tert-Butyldimethylsilyloxy)methyl)-2-chloro-3-(dimethoxymethyl)pyridine

登记号

• MDL号: MFCD12922742
• PubChem SID: 162049648
• PubChem CID: 46737866

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.5673952
• LogD (pH = 7.4): 3.5674
• Log P: 3.5674
• 摩尔折射率: 83.7794 cm^3
• 极化性: 34.801014 Å^3
• 极化表面积: 40.58 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

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

• 纯度: 97%
• Empirical Formula (Hill Notation): C15H26ClNO3Si

详细说明

Sigma Aldrich - ADE000676

Other Notes
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