(E)-trans-4-(1-hydroxy-4-methylcyclohexyl)but-2-enoic acid methyl ester | 121642-72-6

• 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: (E)-trans-4-(1-hydroxy-4-methylcyclohexyl)but-2-enoic acid methyl ester
• 英文别名: (E)-cis-4-(1-hydroxy-4-methylcyclohexyl)but-2-enoic acid methyl ester；4-(1-hydroxy-4-methyl-cyclohexyl)-trans-crotonic acid methyl ester；4-(1-Hydroxy-4-methyl-cyclohexyl)-trans-crotonsaeure-methylester
• CAS: 121642-72-6；121702-57-6
• 化学式: C₁₂H₂₀O₃
• 分子量: 212.289
• InChiKey: DKZLCEJLPBZBEL-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.05
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (E)-trans-4-(1-hydroxy-4-methylcyclohexyl)but-2-enoic acid methyl ester 生成 4-(1-hydroxy-4-methyl-cyclohexyl)-trans-crotonic acid
  参考文献：
  名称：

  Environmental influences on plant species composition in ground-water seeps in the Catskill Mountains of New York

  摘要：

  Ground-water seeps in the Catskill Mountains are important water sources for streams and often have different chemistry than nearby surface water. Many studies have shown correlations between water chemistry and plant species composition in wetlands, but there are no such studies in the Catskill Mountain ground-water seeps. The objective of this study was to identify the chemical and physical environmental variables that most strongly influence plant species composition in seeps. Environmental variables and plant species abundance were measured at 33 seeps. TWo-way INdicator SPecies ANalysis with analysis of variance and Canonical Correspondence Analysis showed that plant species composition is determined primarily by water depth and alkalinity/acidity complex gradients. Growing season changes in water chemistry were not shown to influence the plant community.

  DOI：

  10.1672/0277-5212(2001)021[0125:eiopsc]2.0.co;2
• 作为产物：
  描述：

  4-溴-2-丁烯酸甲酯 、 4-甲基环己酮 在 苯 作用下， 生成 (E)-trans-4-(1-hydroxy-4-methylcyclohexyl)but-2-enoic acid methyl ester
  参考文献：
  名称：

  Environmental influences on plant species composition in ground-water seeps in the Catskill Mountains of New York

  摘要：

  Ground-water seeps in the Catskill Mountains are important water sources for streams and often have different chemistry than nearby surface water. Many studies have shown correlations between water chemistry and plant species composition in wetlands, but there are no such studies in the Catskill Mountain ground-water seeps. The objective of this study was to identify the chemical and physical environmental variables that most strongly influence plant species composition in seeps. Environmental variables and plant species abundance were measured at 33 seeps. TWo-way INdicator SPecies ANalysis with analysis of variance and Canonical Correspondence Analysis showed that plant species composition is determined primarily by water depth and alkalinity/acidity complex gradients. Growing season changes in water chemistry were not shown to influence the plant community.

  DOI：

  10.1672/0277-5212(2001)021[0125:eiopsc]2.0.co;2