6,12,18,24-tetraoxa-5,7,13,19-tetrasila-tetraspiro[4.1.4⁷.1.4¹³.1.4¹⁹.1]tetracosane | 177-49-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 6,12,18,24-tetraoxa-5,7,13,19-tetrasila-tetraspiro[4.1.4⁷.1.4¹³.1.4¹⁹.1]tetracosane
• 英文别名: Tetracyclotetramethylenecyclotetrasiloxane；6,12,18,24-tetraoxa-5,7,13,19-tetrasilatetraspiro[4.1.47.1.413.1.419.15]tetracosane
• CAS: 177-49-1
• 化学式: C₁₆H₃₂O₄Si₄
• 分子量: 400.77
• InChiKey: BFSUTNYNXLTKIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.01
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  硅杂环戊烷,1,1-二氯 在 水 作用下， 以 乙醚 为溶剂， 生成 6,12,18,24-tetraoxa-5,7,13,19-tetrasila-tetraspiro[4.1.4⁷.1.4¹³.1.4¹⁹.1]tetracosane
  参考文献：
  名称：

  Andrianov,K.A.; Ermakova,M.N., Doklady Chemistry, 1967, vol. 172, p. 99 - 102

  摘要：

  DOI：

文献信息

• Two Cyclotetrasiloxanes at 143K
  作者：K. Hensen、F. Gebhardt、M. Kettner、P. Pickel、M. Bolte

  DOI：10.1107/s0108270197010068

  日期：1997.12.15

  The crystal structures of octaphenylcyclotetrasiloxane [C48H40O4Si4 (I)] and 2,4,6,8-tetrakis (tetramethylene) cyclotetrasiloxane [a tetraspiro compound: cyclo-tetrasiloxane-2,4,6,8-tetraspiro-tetrakis(cyclopentane), C16H32O4Si4, (II)] were determined at 143 K. Compound (I) is compared with the room-temperature structure and the structure of the monoclinic polymorph, both reported previously. Whereas the siloxane ring of (I) is nearly planar, the siloxane ring of (II) exhibits a chair conformation. The angles between the siloxane ring and the various phenyl substituents of (I) vary considerably and are on average smaller in the triclinic form than in the monoclinic form. Greatly differing Si-O-Si angles, as found in the monoclinic form (153 and 167 degrees), appear only in one of the molecules in the asymmetric unit of (I) [153.4(1) and 163.7(1)degrees]; the Si-O-Si angles of the second molecule differ by only 3.0 degrees. The Si-O-Si angles of (II) display a difference of 5.2 degrees. The silacyclopentane rings of (II) exhibit different conformations.
• Andrianov,K.A.; Ermakova,M.N., Doklady Chemistry, 1967, vol. 172, p. 99 - 102
  作者：Andrianov,K.A.、Ermakova,M.N.

  DOI：——

  日期：——