didecyl (2E,4E)-hexa-2,4-dienedioate | 214824-61-0

• 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: didecyl (2E,4E)-hexa-2,4-dienedioate
• CAS: 214824-61-0
• 化学式: C₂₆H₄₆O₄
• 分子量: 422.649
• InChiKey: UYDPFXNVBNCJGM-KSTNYAOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  30
• 可旋转键数：
  23
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Bisdecyl (Z,Z)-muconate 反应 24.0h， 生成 didecyl (2E,4E)-hexa-2,4-dienedioate
  参考文献：
  名称：

  Single-Crystal-to-Single-Crystal Transformation of Di(isopropylammonium) (Z,Z)-Muconate into the (E,E)-Muconate during One-Way Photoisomerization in the Solid State

  摘要：

  The solid-state EZ photoisomerization of di(isopropylammonium) (Z,Z)-muconate (ZZ-1a) into the corresponding EE isomer (EE-1a) via a single-crystal-to-single-crystal reaction process was investigated. The molecular motion based on a bicycle-pedal model was directly observed during the photoisomerization in the crystals by an X-ray single crystal structure analysis. The photoirradiation of ZZ-1a provided EE-1a in a quantitative yield via a one-way isomerization mechanism, being different from the solution products in the photostationary state. The isomerization reactivity was discussed for the ammonium and ester derivatives of muconic acid.

  DOI：

  10.1021/cg200184c