2-(5-hydroxypentyl-1-d)cyclopent-2-en-1-ol | 139244-23-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-(5-hydroxypentyl-1-d)cyclopent-2-en-1-ol
• CAS: 139244-23-8
• 化学式: C₁₀H₁₈O₂
• 分子量: 171.244
• InChiKey: GWOPMLDTTUKEPU-UICOGKGYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.62
• 重原子数：
  12.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  在 氢氧化钾 、 重水 、 potassium hexacyanoferrate(III) 作用下， 反应 16.08h， 生成 2-(5-hydroxypentyl-1-d)cyclopent-2-en-1-ol
  参考文献：
  名称：

  Expression of dipolar character in diyl trapping chemistry

  摘要：

  A set of new reactions is described and illustrated in eqs 1-5. Diazenes which customarily participate in diradical processes, compounds 1a and 9 for example, lead to intermediates which are intercepted by water. Diazene 3 is converted to an intermediate which is intercepted both by water and, when the dielectric constant of the medium is sufficiently high, by n-PrOH. The chemistry is believed to arise through the intermediacy of a "dipolar diradical", which is described by an unequal weighting of the zwitterionic (PSI(alpha) and PSI(beta) and diradical (PSI(delta)) resonance formulations to the overall wave function for the system: PSI = alpha-PSI(alpha) + beta-PSI(beta) + delta-PSI(delta).

  DOI：

  10.1021/ja00034a046