3-己基-1,1,1,5,5,5-六甲基-3-[(三甲基硅烷基)氧基]三硅氧烷 | 60111-48-0

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 中文名称: 3-己基-1,1,1,5,5,5-六甲基-3-[(三甲基硅烷基)氧基]三硅氧烷
• 英文名称: Hexyltris(trimethylsiloxy)silane
• 英文别名: 3-hexyl-1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]trisiloxane；n-hexyltris(trimethylsiloxy)silane；tristrimethylsiloxy n-hexylsilane；tristrimethylsiloxyhexylsilane；hexyl trimethicone；hexyl-tris(trimethylsilyloxy)silane
• CAS: 60111-48-0
• 化学式: C₁₅H₄₀O₃Si₄
• 分子量: 380.823
• InChiKey: XUWFUXWTRJNRPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.06
• 重原子数：
  22
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  六甲基二硅氧烷 、 正-己基三甲氧基硅烷 在 硫酸 甲醇 、 水 作用下， 反应 8.75h， 以85%的产率得到3-己基-1,1,1,5,5,5-六甲基-3-[(三甲基硅烷基)氧基]三硅氧烷
  参考文献：
  名称：

  Preparation of branched tetrasiloxane

  摘要：

  公开号：

  EP1481979B1

文献信息

• Preparation of branched siloxane
  申请人：Shin-Etsu Chemical Co., Ltd.

  公开号：EP1510520B1

  公开（公告）日：2006-07-26
• Structural and vibrational properties of the octanuclear silasesquioxane C₆H₁₃(H₇Si₈O₁₂)
  作者：Gion Calzaferri、Roman Imhof、Karl W. Törnroos

  DOI：10.1039/dt9940003123

  日期：——

  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.