| 131327-21-4

• 分子结构分类: 有机化合物
• CAS: 131327-21-4
• 化学式: C₆H₁₄O
• 分子量: 102.177
• InChiKey: BCAAONFFYJFSSE-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1.15
• 重原子数：
  7.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  12.8
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  2,4-dimethoxypentane molecular ion 以 gas 为溶剂， 生成 聚合甲醛 、
  参考文献：
  名称：

  Stable γ-distonic oxonium ions: RHCHR′ĊH2CHR″ and their characteristic reaction

  摘要：

  AbstractThe γ‐distonic radical ions R\documentclass{article}\pagestyle{empty}\begin{document}$ \mathop {\rm O}\limits^ + $\end{document}CHR′CH2ĊHR″ and their molecular ion counterparts R\documentclass{article}\pagestyle{empty}\begin{document}$ \mathop {\rm O}\limits^{{\rm + } \cdot } $\end{document}CHR′CH2CH2R″ have been studied by isotopic labelling and collision‐induced dissociation, applying a potential to the collision cell in order to separate activated from spontaneous decompositions. The stability of CH3\documentclass{article}\pagestyle{empty}\begin{document}$ \mathop {\rm O}\limits^ + $\end{document}HCH(CH3)CH2ĊHCH3, C2H5\documentclass{article}\pagestyle{empty}\begin{document}$ \mathop {\rm O}\limits^ + $\end{document}HCH(CH3)CH2ĊHCH3, CH3\documentclass{article}\pagestyle{empty}\begin{document}$ \mathop {\rm O}\limits^ + $\end{document}HCH(CH3)CH2ĊH2, CH3\documentclass{article}\pagestyle{empty}\begin{document}$ \mathop {\rm O}\limits^ + $\end{document}HCH2CH2ĊHCH3 and C2H5\documentclass{article}\pagestyle{empty}\begin{document}$ \mathop {\rm O}\limits^ + $\end{document}HCH2CH2ĊHCH3, has been demonstrated and their characteristic decomposition, alcohol loss, identified. For all these γ‐distonic ions, the 1,4‐H abstraction leading to their molecular ion counterpart exhibits a primary isotope effect.

  DOI：

  10.1002/oms.1210251007