| 324744-95-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• CAS: 324744-95-8
• 化学式: C₄₀H₈₈N₈Si₄
• 分子量: 793.534
• InChiKey: QUGOFSLVYJQOLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.94
• 重原子数：
  52.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25.92
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  以 四氢呋喃 为溶剂， 生成 1,4,7,10-tetra-tert-butyl-1,4,7,10-tetraaza-5,6-disilaspiro[4.5]decane
  参考文献：
  名称：

  Electrochemistry and MO Computations of Saturated and Unsaturated N-Heterocyclic Silylenes

  摘要：

  The results of electrochemical investigations by cyclic voltammetry and density functional computations of new saturated (2, 3) and unsaturated N-heterocyclic silylenes (5, 6) are described and compared with the previously known N-heterocyclic silylenes (1, 4). Good correlations have been found between experimental oxidation potentials of saturated 1-3 and unsaturated 4-6 with those of density functional calculations of the electronic properties of these divalent silicon derivatives.

  DOI：

  10.1021/om901037j
• 作为产物：
  描述：

  1,4,7,10-tetra-tert-butyl-1,4,7,10-tetraaza-5,6-disilaspiro[4.5]decane 生成
  参考文献：
  名称：

  Electrochemistry and MO Computations of Saturated and Unsaturated N-Heterocyclic Silylenes

  摘要：

  The results of electrochemical investigations by cyclic voltammetry and density functional computations of new saturated (2, 3) and unsaturated N-heterocyclic silylenes (5, 6) are described and compared with the previously known N-heterocyclic silylenes (1, 4). Good correlations have been found between experimental oxidation potentials of saturated 1-3 and unsaturated 4-6 with those of density functional calculations of the electronic properties of these divalent silicon derivatives.

  DOI：

  10.1021/om901037j