ethyl 4-formylnonanoate | 1300114-24-2

• 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: ethyl 4-formylnonanoate
• CAS: 1300114-24-2
• 化学式: C₁₂H₂₂O₃
• 分子量: 214.305
• InChiKey: VIBSFKCCQHLNDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.73
• 重原子数：
  15.0
• 可旋转键数：
  9.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl 4-formylnonanoate 在 sodium cyanoborohydride 、 对甲苯磺酸 作用下， 以 异丙醇 、 甲苯 为溶剂， 生成 5-戊基四氢吡喃-2-酮
  参考文献：
  名称：

  Novel Nematic Liquid Crystalline Compounds Having A Tetrahydropyrane Ring

  摘要：

  A series of novel liquid crystalline compounds with a tetrahydropyrane ring were synthesized, and the physical properties have been measured. The compounds showed peculiar dependency of the dielectric anisotropy value on the connecting position of the tetrahydropyrane ring. This positional dependency is discussed with the measurement of the temperature dependency of the dielectric Constants, and the semi empirical quantum calculation. In accordance with the experimental result, it was found that the difference of the dielectric anisotropy value is influenced by the difference of the dipole moment value and the direction of the dipole at the most stable conformation.

  DOI：

  10.1080/15421400802430042
• 作为产物：
  描述：

  N-环己基庚烷-1-亚胺 、 丙烯酸乙酯 生成 ethyl 4-formylnonanoate
  参考文献：
  名称：

  Novel Nematic Liquid Crystalline Compounds Having A Tetrahydropyrane Ring

  摘要：

  A series of novel liquid crystalline compounds with a tetrahydropyrane ring were synthesized, and the physical properties have been measured. The compounds showed peculiar dependency of the dielectric anisotropy value on the connecting position of the tetrahydropyrane ring. This positional dependency is discussed with the measurement of the temperature dependency of the dielectric Constants, and the semi empirical quantum calculation. In accordance with the experimental result, it was found that the difference of the dielectric anisotropy value is influenced by the difference of the dipole moment value and the direction of the dipole at the most stable conformation.

  DOI：

  10.1080/15421400802430042