4359-97-1 (2,6-二叔丁基-4-(3,5-二叔丁基-4-羟基苯亚甲基)-2,5-环己二烯-1-酮, )

CAS号:
4359-97-1
中文名称:
2,6-二叔丁基-4-(3,5-二叔丁基-4-羟基苯亚甲基)-2,5-环己二烯-1-酮
英文名称:
 
分子式:
C29H42O2
分子量:
422.642589092255

2,6-二叔丁基-4-(3,5-二叔丁基-4-羟基苯亚甲基)-2,5-环己二烯-1-酮(4359-97-1)名称与标识符

名称

英文别名:
2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one;4-(3,5-Di-tert-butyl-4-hydroxybenzylidene)-2,6-di-tert-butyl-2,5-cyclohexadiene-1-one;(3,5-di-tert-butyl-4-oxo-2,5-cyclohexadien-1-ylidene)-(3,5-di-tert-butyl-4-hydroxyphenyl)methane;2,6-Di-tert-butyl-4-(3,5-di-tert-butyl-4-hydroxy-benzyliden)-cyclohexa-2,5-dienon;2,6-Di-tert-butyl-4-(3,5-di-tert-butyl-4-hydroxybenzylidene)-2,5-cyclohexadien-1-one;2,6-di-tert-butyl-4-(3,5-di-tert-butyl-4-hydroxy-benzylidene)-cyclohexa-2,5-dienone;AC1L3WU9;AC1Q691W;AR-1D5108;CTK4I7465;hydrogalvinoxyl;NSC81686;NSC81687;ST5030821;2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]cyclohexa-2,5-dien-1-one;2,5-CYCLOHEXADIEN-1-ONE, 2,6-DI-TERT-BUTYL-4-(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLIDENE)-;DTXSID20195881;J-015188;NSC-81687;AB01325787-02;SCHEMBL2472956;STK987691;4359-97-1;GALVANOPHENOL;Phenoxy(free radical),6-di-t-butyl-4-[(3,5-di-t-butyl-4-oxo-2,5-cyclohexadien-1-ylidene;2,6-di-tert-butyl-4-(3,5-di-tert-butyl-4-hydroxybenzylidene)cyclohexa-2,5-dien-1-one;NCGC00332054-01;WLN: L6V DYJ BX1&1&1 FX1&1&1 DU1R DO CX1&1&1 EX1&1&1 &31/31;p-Tolyloxy,6-di-tert-butyl-.alpha.-(3,5-di-tert-butyl-4-oxo-2,5-cyclohexadien-1-ylidene)-;Phenol,6-di(tert-butyl)-4-[3,5-di(tert-butyl)-4-oxo-2,5-cyclohexadien-1-ylidenemethyl]-,radical ion(1-);4-(4-HYDROXY-3,5-DI-TERT-BUTYLPHENYL)METHYLENE-2,6-DI-TERT-BUTYLCYCLOHEX-2,5-DIENE-1-ONE;Phenoxy,5-bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]methyl]-2,6-bis(1,1-dimethylethyl)-;Galvinol;HRLDHROCDBYHAU-UHFFFAOYSA-N;LWT8PN9SC7;SY050149;2,6-DI-TERT-BUTYL-4-(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLIDENE)CYCLOHEXA-2,5-DIENONE;AS-75727;2,5-Cyclohexadien-1-one, 4-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2,6-bis(1,1-dimethylethyl)-;AKOS005678656;UNII-LWT8PN9SC7;CAA37018;NSC 81687;NS00049389;4-(4-HYDROXY-3,5-DI-TERT-BUTYLPHENYLMETHYLENE)-2,6-DI-TERT-BUTYLCYCLOHEXA-2,5-DIEN-1-ONE;4-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2,6-bis(1,1-dimethylethyl)-2,5-cyclohexadien-1-one;D90707;

标识符

InChIKey:
HRLDHROCDBYHAU-UHFFFAOYSA-N
Inchi:
1S/C29H42O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h13-17,30H,1-12H3
SMILES:
OC1C(=CC(/C=C2\C=C(C(C(=C\2)C(C)(C)C)=O)C(C)(C)C)=CC=1C(C)(C)C)C(C)(C)C

2,6-二叔丁基-4-(3,5-二叔丁基-4-羟基苯亚甲基)-2,5-环己二烯-1-酮(4359-97-1)物化性质

实验特性

  • PSA : 37.3

计算特性

  • 精确分子量 : 422.31866
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 5
  • 同位素质量 : 422.318480578g/mol
  • 重原子数量 : 31
  • 复杂度 : 719
  • 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) : 9
  • 拓扑分子极性表面积 : 37.3Ų