(2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)methanol

• ChemBase编号: 44971
• 分子式: C15H23NO3Si
• 平均质量: 293.43352
• 单一同位素质量: 293.14472013
• SMILES: c1(cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C)CO
• Canonical SMILES: OCc1cnc2c(c1)oc(c2)CO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C15H23NO3Si/c1-15(2,3)20(4,5)18-10-12-7-13-14(19-12)6-11(9-17)8-16-13/h6-8,17H,9-10H2,1-5H3
• InChIKey: FABMDYUQZRCJAN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)methanol
• IUPAC传统名: (2-{[(tert-butyldimethylsilyl)oxy]methyl}furo[3,2-b]pyridin-6-yl)methanol
• 别名: (2-((tert-Butyldimethylsilyloxy)methyl)-furo[3,2-b]pyridin-6-yl)methanol; (2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-yl)methanol; (2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-yl)methanol

登记号

• CAS号: 1171920-61-8
• MDL号: MFCD12922796
• PubChem SID: 162049734
• PubChem CID: 46737936

理论计算性质

• Acid pKa: 14.5002
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.369292
• LogD (pH = 7.4): 2.3696947
• Log P: 2.3697
• 摩尔折射率: 75.7276 cm^3
• 极化性: 32.781635 Å^3
• 极化表面积: 55.49 Å^2
• 可自由旋转的化学键: 5
• 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

• Empirical Formula (Hill Notation): C15H23NO3Si

详细说明

Sigma Aldrich - ADE001176

Other Notes
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