13417-12-4 ((Octyl 3-(3,5-Di-t-butyl-4-hydroxyphenyl)propionate)

CAS号:
13417-12-4
英文名称:
Octyl 3-(3,5-Di-t-butyl-4-hydroxyphenyl)propionate
分子式:
C25H42O3
分子量:
390.599188327789

Octyl 3-(3,5-Di-t-butyl-4-hydroxyphenyl)propionate(13417-12-4)名称与标识符

名称

英文别名:
Octyl-3,5-di-tert-butyl-4-hydroxy-hydrocinnamate;Antioxidant 1135;Octyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate;Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, C7-9-branched alkyl esters;Octyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate;octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;Octyl-3,5-di-tert-butyl-4-hydroxyhydrocinnamate;C25H42O3;EBD45010;O818;

标识符

MDL:
MFCD09750420
InChIKey:
CFXCGWWYIDZIMU-UHFFFAOYSA-N
Inchi:
1S/C25H42O3/c1-8-9-10-11-12-13-16-28-22(26)15-14-19-17-20(24(2,3)4)23(27)21(18-19)25(5,6)7/h17-18,27H,8-16H2,1-7H3
SMILES:
OC1C(=CC(CCC(=O)OCCCCCCCC)=CC=1C(C)(C)C)C(C)(C)C

Octyl 3-(3,5-Di-t-butyl-4-hydroxyphenyl)propionate(13417-12-4)物化性质

计算特性

  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 13
  • 重原子数量 : 28
  • 复杂度 : 420
  • 疏水参数计算参考值(XlogP) : 8.4
  • 拓扑分子极性表面积 : 46.5