Dodec-6-enal | 76261-02-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Dodec-6-enal
• CAS: 76261-02-4
• 化学式: C₁₂H₂₂O
• 分子量: 182.306
• InChiKey: RKSXBPZEKYUCII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  13
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  Dodec-6-enal 在 4-二甲氨基吡啶 、 正丁基锂 作用下， 生成 2,8-Tetradecadien-1-ol, acetate, (E,E)-
  参考文献：
  名称：

  Investigation of aliphatic dienes by chemical ionization with nitric oxide

  摘要：

  AbstractIt is shown that the position of the double bond close to the hydrocarbon end of an aliphatic diene functionalized at C(1) can readily be determined by chemical ionization with NO+. Owing to the low abundance of the ions characteristic for the position of the other double bond, its localization may be difficult. Measurement of the chemical ionization (nitric oxide as reagent gas) spectra of the corresponding epoxides or collision activation studies can help.

  DOI：

  10.1002/oms.1210261205
• 作为产物：
  描述：

  (6-hydroxyhexyl)triphenylphosphonium bromide 在 正丁基锂 、 pyridinium chlorochromate 作用下， 生成 Dodec-6-enal
  参考文献：
  名称：

  Investigation of aliphatic dienes by chemical ionization with nitric oxide

  摘要：

  AbstractIt is shown that the position of the double bond close to the hydrocarbon end of an aliphatic diene functionalized at C(1) can readily be determined by chemical ionization with NO+. Owing to the low abundance of the ions characteristic for the position of the other double bond, its localization may be difficult. Measurement of the chemical ionization (nitric oxide as reagent gas) spectra of the corresponding epoxides or collision activation studies can help.

  DOI：

  10.1002/oms.1210261205