15459-04-8 ((Phenol,2,2'-[(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)]bis[6-(1,1-dimethylethyl)-4-methyl-)

CAS号:
15459-04-8
英文名称:
Phenol,2,2'-[(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)]bis[6-(1,1-dimethylethyl)-4-methyl-
分子式:
C34H46O2
分子量:
486.727850437164

Phenol,2,2'-[(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)]bis[6-(1,1-dimethylethyl)-4-methyl-(15459-04-8)名称与标识符

名称

英文别名:
Phenol,2,2'-[(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)]bis[6-(1,1-dimethylethyl)-4-methyl-;2-tert-butyl-6-[[4-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-4-methylphenol;2-tert-butyl-6-(4-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-2,3,5,6-tetramethylbenzyl)-4-methylphenol;AC1L6GUJ;AC1Q2IKA;AC1Q79HO;CTK4C8338;NCIStruc1_001501;NCIStruc2_001652;NSC157469;NSC-157469;NCGC00014430-02;AKOS024429848;NCI60_001144;CHEMBL1741892;6,6'-((2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene))bis(2-(tert-butyl)-4-methylphenol);NCGC00014430;NCI157469;15459-04-8;NCGC00097535-01;ALPHA2,ALPHA'2-(2,3,5,6-TETRAMETHYL-1,4-PHENYLENE)BIS(6-TERT-BUTYL-2,4-XYLENOL);6,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)bis(2-tert-butyl-4-methylphenol);CCG-37324;DTXSID30303238;

标识符

InChIKey:
DSJCTVARYPWIFZ-UHFFFAOYSA-N
Inchi:
1S/C34H46O2/c1-19-13-25(31(35)29(15-19)33(7,8)9)17-27-21(3)23(5)28(24(6)22(27)4)18-26-14-20(2)16-30(32(26)36)34(10,11)12/h13-16,35-36H,17-18H2,1-12H3
SMILES:
OC1C(=CC(C)=CC=1C(C)(C)C)CC1C(C)=C(C)C(=C(C)C=1C)CC1=CC(C)=CC(=C1O)C(C)(C)C

Phenol,2,2'-[(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)]bis[6-(1,1-dimethylethyl)-4-methyl-(15459-04-8)物化性质

实验特性

  • PSA : 40.46

计算特性

  • 精确分子量 : 486.34998
  • 氢键供体数量 : 2
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 6
  • 同位素质量 : 486.349780706g/mol
  • 重原子数量 : 36
  • 复杂度 : 625
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 10.6
  • 拓扑分子极性表面积 : 40.5Ų