Hexylheptahydridoocta(silasesquioxan) | 137481-29-9

• 英文名称: Hexylheptahydridoocta(silasesquioxan)
• 英文别名: 1-Hexyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
• CAS: 137481-29-9
• 化学式: C₆H₂₀O₁₂Si₈
• 分子量: 508.902
• InChiKey: UJVBEQYDTMIVDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.21
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  1-己烯 在 dihydrogen hexachloroplatinate 、 octahydridopentacyclooctasiloxane 作用下， 以 正己烷 、 异丙醇 为溶剂， 生成 Hexylheptahydridoocta(silasesquioxan)
  参考文献：
  名称：

  Structural and vibrational properties of the octanuclear silasesquioxane C₆H₁₃(H₇Si₈O₁₂)

  摘要：

  The crystal structure of hexylheptahydrooctasilasesquioxane C6H13(H7Si8O12) has been determined by single-crystal X-ray diffraction and compared with the structures of H8Si8O12, [Co(CO)4(H7Si8O12)] and (CH3)8Si8O12. The monosubstituted silasesquioxane molecules have a crystallographic C1 symmetry. The local symmetry of their octanuclear Si cage, however, is close to C3v. They are closer to C3v than H8Si8O12 which has an effective molecular symmetry of T(h) in the crystal. The major distortions originate in intermolecular O ... Si contacts. The larger the number of such contacts per molecule, the larger is the distortion of the local symmetry of the cage. The structure of C6H13(H7Si8O12) compares well with that of [Co(CO)4(H7Si8O12)], and it is clearly the least distorted of the two due to a reduced influence of the n-hexyl ligand on the cage geometry and due to a smaller number of intermolecular interactions. The IR spectrum of C6H13(H7Si8O12) has been interpreted by correlating it with the three molecules H8Si8O12, C6H13[Si(OSiMe3)3] and HSi(OSiMe3)3.

  DOI：

  10.1039/dt9940003123

文献信息

• Monosubstitution von Octa(hydridosilasesquioxan) H8Si8O12 zu R?H7Si8O12 mittels Hydrosilylierung Kurzmitteilung
  作者：Gion Calzaferri、Daniel Herren、Roman Imhof

  DOI：10.1002/hlca.19910740616

  日期：1991.9.18

  Monosubstitution of Octa(hydridosilasesquioxane) H8Si8O12 to R′H7Si8O12 by Hydrosilylation

  八溴单取代的（hydridosilasesquioxane）H 8的Si 8 ø 12至R'H 7的Si 8 ö 12通过氢化硅烷化