2,2-dimethyl-1-{6-[2-(trimethylsilyl)ethynyl]-1H,2H,3H-pyrido[2,3-b][1,4]oxazin-1-yl}propan-1-one

• ChemBase编号: 51695
• 分子式: C17H24N2O2Si
• 平均质量: 316.47016
• 单一同位素质量: 316.16070455
• SMILES: c1(ccc2c(n1)OCCN2C(=O)C(C)(C)C)C#C[Si](C)(C)C
• Canonical SMILES: O=C(C(C)(C)C)N1CCOc2c1ccc(n2)C#C[Si](C)(C)C
• InChI: InChI=1S/C17H24N2O2Si/c1-17(2,3)16(20)19-10-11-21-15-14(19)8-7-13(18-15)9-12-22(4,5)6/h7-8H,10-11H2,1-6H3
• InChIKey: GHTIBXLCZWYECA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2-dimethyl-1-{6-[2-(trimethylsilyl)ethynyl]-1H,2H,3H-pyrido[2,3-b][1,4]oxazin-1-yl}propan-1-one
• IUPAC传统名: 2,2-dimethyl-1-{6-[2-(trimethylsilyl)ethynyl]-2H,3H-pyrido[2,3-b][1,4]oxazin-1-yl}propan-1-one
• 别名: 2,2-Dimethyl-1-(6-((trimethylsilyl)ethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one; 2,2-Dimethyl-1-(6-((trimethylsilyl)ethynyl)-2,3-di hydro-1H-pyrido[2,3-b][1,4]oxazin-1-yl)propan-1-on; 2,2-Dimethyl-1-(6-((trimethylsilyl)ethynyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one

登记号

• MDL号: MFCD16628269
• PubChem SID: 162056458
• PubChem CID: 49761652

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.352192
• LogD (pH = 7.4): 4.3522
• Log P: 4.3522
• 摩尔折射率: 80.2547 cm^3
• 极化性: 34.507835 Å^3
• 极化表面积: 42.43 Å^2
• 可自由旋转的化学键: 3
• 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): C17H24N2O2Si

详细说明

Sigma Aldrich - ADE001279

Other Notes
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