1-(3,4,5-trioctyloxyphenyl)-3-(3,4-dioctyloxyphenyl)propane-1,3-dione | 856398-21-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1-(3,4,5-trioctyloxyphenyl)-3-(3,4-dioctyloxyphenyl)propane-1,3-dione
• 英文别名: 1-(3,4-Dioctoxyphenyl)-3-(3,4,5-trioctoxyphenyl)propane-1,3-dione
• CAS: 856398-21-5
• 化学式: C₅₅H₉₂O₇
• 分子量: 865.331
• InChiKey: JJXVFTSTSBMCJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.1
• 重原子数：
  62
• 可旋转键数：
  44
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  chromium(III) acetylacetonate 、 1-(3,4,5-trioctyloxyphenyl)-3-(3,4-dioctyloxyphenyl)propane-1,3-dione 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  Nanometer-scale ordering in cast films of columnar metallomesogen as revealed by STM observations

  摘要：

  STM observations were performed on a cast film of a columnar metallomesogen ([Cr(5C8)3]; 5C8 = 1-(3,4,5-trioctyloxyphenyl)-3-(3,4-dioctyloxyphenyl)propane-1,3-dionate anion) on a graphite surface, revealing the nanometer-scale surface ordering into an oblique lattice (a = 10.5 nm, b = 11.5 nm, α = 55°) possibly due to the ΔΛ-chiral interactions.

  DOI：

  10.1039/b419429b