[10-(hydroxymethyl)cyclooctadecyl]methanol | 138152-03-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [10-(hydroxymethyl)cyclooctadecyl]methanol
• CAS: 138152-03-1；138283-74-6
• 化学式: C₂₀H₄₀O₂
• 分子量: 312.536
• InChiKey: XJYMIMICWOVNTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.46
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [10-(hydroxymethyl)cyclooctadecyl]methanol 在 titanium(III) chloride 、 铜 、 pyridinium chlorochromate 、 锌 作用下， 以 氘代氯仿 为溶剂， 反应 29.0h， 生成 Bicyclo<8.8.2>icos-19-ene
  参考文献：
  名称：

  Stereoisomers of bicyclo[8.8.2]icos-19-ene: synthesis, novel properties, and molecular mechanics calculations

  摘要：

  A mixture comprising four of the five possible stereoisomers of title compound 1, novel bicyclic alkenes with properties resembling those of betweenanenes,2 has been synthesized in four steps from 1,10-cyclooctadecadione (2).3 Molecular mechanics calculations have been performed on all five stereoisomers of 1.

  DOI：

  10.1021/jo00028a009
• 作为产物：
  描述：

  1,10-dimethylenecyclooctadecane 生成 [10-(hydroxymethyl)cyclooctadecyl]methanol
  参考文献：
  名称：

  Stereoisomers of bicyclo[8.8.2]icos-19-ene: synthesis, novel properties, and molecular mechanics calculations

  摘要：

  A mixture comprising four of the five possible stereoisomers of title compound 1, novel bicyclic alkenes with properties resembling those of betweenanenes,2 has been synthesized in four steps from 1,10-cyclooctadecadione (2).3 Molecular mechanics calculations have been performed on all five stereoisomers of 1.

  DOI：

  10.1021/jo00028a009