Tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2-methyl-2-(trifluoromethyl)butanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2-methyl-2-(trifluoromethyl)butanoate
• 英文别名: tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,5,6-trimethylbicyclo[2.2.1]heptane-2-carboxylate;[5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-yl] 2-methyl-2-(trifluoromethyl)butanoate
• 化学式: C39H56F18O8
• 分子量: 994.8
• InChiKey: FOMKLVHZHRGVDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.93
• 重原子数：
  65
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  26