2,3-dimethoxy-5-[2-(trimethylsilyl)ethynyl]pyridine

• ChemBase编号: 44901
• 分子式: C12H17NO2Si
• 平均质量: 235.35438
• 单一同位素质量: 235.10285532
• SMILES: c1(c(ncc(c1)C#C[Si](C)(C)C)OC)OC
• Canonical SMILES: COc1cc(cnc1OC)C#C[Si](C)(C)C
• InChI: InChI=1S/C12H17NO2Si/c1-14-11-8-10(6-7-16(3,4)5)9-13-12(11)15-2/h8-9H,1-5H3
• InChIKey: KDNDGRWJNLKLHR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3-dimethoxy-5-[2-(trimethylsilyl)ethynyl]pyridine
• IUPAC传统名: 2,3-dimethoxy-5-[2-(trimethylsilyl)ethynyl]pyridine
• 别名: 2,3-Dimethoxy-5-((trimethylsilyl)ethynyl)pyridine; 2,3-Dimethoxy-5-((trimethylsilyl)ethynyl)pyridine

登记号

• MDL号: MFCD12401637
• PubChem SID: 162049664
• PubChem CID: 46737838

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.927025
• LogD (pH = 7.4): 2.927099
• Log P: 2.9271
• 摩尔折射率: 57.3776 cm^3
• 极化性: 25.506613 Å^3
• 极化表面积: 31.35 Å^2
• 可自由旋转的化学键: 4
• 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): C12H17NO2Si

详细说明

Sigma Aldrich - ADE000639

Other Notes
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