1e,3e,5e-trimethyl cyclohexanol | 56505-50-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1e,3e,5e-trimethyl cyclohexanol
• 英文别名: 1.3trans.5trans-Trimethyl-cyclohexanol-(1ref)
• CAS: 56505-50-1
• 化学式: C₉H₁₈O
• 分子量: 142.241
• InChiKey: KVZFVAMCMZOOOW-BRPSZJMVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.19
• 重原子数：
  10.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  顺式-3,5-二甲基环己酮 、 甲基锂 生成 1e,3e,5e-trimethyl cyclohexanol
  参考文献：
  名称：

  Structural information from OH stretching frequencies—IX. The influence of γ-alkyl substituents on the different OH rotamers in saturated axial cyclohexanols

  摘要：

  DOI：

  10.1016/0584-8539(82)80061-5

文献信息

• Synthesis and structure–affinity relationships of 1,3,5-alkylsubstituted cyclohexylamines binding at NMDA receptor PCP site
  作者：A Jirgensons

  DOI：10.1016/s0223-5234(00)00153-7

  日期：2000.6

  A series of 1,3,5-alkylsubstituted cyclohexylamines 2 were synthesized as ligands for the N-methyl-D-aspartate (NMDA) receptor phencyclidine (PCP) binding site. Pure diastereomers with defined configuration of amino group 2-ax and 2-eq were obtained. The optimal size of 1,3,5-substituents was determined for cyclohexylamines 2 with an equatorial amino group in the lowest energy conformation using Hansch analysis. According to the data, the lipophilic part of cyclohexylamines 2 does not discriminate between hydrophobic regions of the PCP binding site but rather recognizes this site as a whole lipophilic pocket. (C) 2000 Editions scientifiques et medicales Elsevier SAS.