88038-92-0 (4-(反式,反式-4-丙基双环己基)甲酸-4'-(反式-4-丙基环己基)苯酚酯,(trans,trans)-4-Propyl1,1-bicyclohexyl-4-carboxyllic Acid-4-(trans-4-propylcyclohexyl)phenyl Ester)

CAS号:
88038-92-0
中文名称:
4-(反式,反式-4-丙基双环己基)甲酸-4'-(反式-4-丙基环己基)苯酚酯
英文名称:
(trans,trans)-4-Propyl1,1-bicyclohexyl-4-carboxyllic Acid-4-(trans-4-propylcyclohexyl)phenyl Ester
分子式:
C31H48O2
分子量:
452.711629867554

4-(反式,反式-4-丙基双环己基)甲酸-4'-(反式-4-丙基环己基)苯酚酯(88038-92-0)名称与标识符

名称

中文别名:
反-(4-丙基环己基)环己烷基甲酸-4-(反-4-丙基环己基)苯酯;4-丙基双环己基甲酸-4'-丙基环己基苯酚酯;4-(4-N-丙基环己基)苯基 4'-N-丙基双环己基-4-甲酸酯;4-(反式,反式-4-丙基双环己基)甲酸-4'-(反式-4-丙基环己基)苯酚酯;(反式,反式)-4'-丙基-[1,1'-联环己烷]-4-羧酸 4-(反式-4-丙基环己基)苯基酯;
英文别名:
[1,1'-Bicyclohexyl]-4-carboxylicacid, 4'-propyl-, 4-(trans-4-propylcyclohexyl)phenyl ester, (trans,trans)-;(Trans,trans)-4'-propyl[1,1'-Bicyclohexyl]-4-carboxyllic acid-4-(trans-4-propylcyclohexyl)phenyl ester;[1,1'-Bicyclohexyl]-4-carboxylicacid, 4'-propyl-, 4-(trans-4-propylcyclohexyl)phenyl ester, (t...;[4-(4-propylcyclohexyl)phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate;4-(trans-4-Propylcyclohexyl)phenyl-trans-(4-propylcyclohexyl)cyclohexanecarboxylate;trans,trans-4-(trans-4-Propylcyclohexyl)-phenyl 4'-propylbicyclohexyl-4-carboxylate;4-(4-Propylcyclohexyl)phenyl 4'-propyl[1,1'-bi(cyclohexane)]-4-carboxylate;(Trans,trans)-4-propyl[1,1-Bicyclohexyl]-4-carboxyllic acid-4-(trans-4-propylcyclohexyl)phenyl ester;4-(trans-4-Propylcyclohexyl)phenyl (trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-carboxylate (ACI);[1,1′-Bicyclohexyl]-4-carboxylic acid, 4′-propyl-, 4-(4-propylcyclohexyl)phenyl ester, [trans[trans(trans)]]- (ZCI);3-HHEBH-3;3-HHXBH-3;CCPC 33;CCZPC-3-3;

标识符

MDL:
MFCD00673705
InChIKey:
OJUPRLOTNSQRBL-XJSJQIHMSA-N
Inchi:
1S/C31H48O2/c1-3-5-23-7-11-25(12-8-23)27-15-17-29(18-16-27)31(32)33-30-21-19-28(20-22-30)26-13-9-24(6-4-2)10-14-26/h19-27,29H,3-18H2,1-2H3/t23-,24-,25-,26-,27-,29-
SMILES:
C([C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CCC)CC2)CC1)(=O)OC1C=CC([C@@H]2CC[C@@H](CCC)CC2)=CC=1

4-(反式,反式-4-丙基双环己基)甲酸-4'-(反式-4-丙基环己基)苯酚酯(88038-92-0)物化性质

实验特性

  • LogP : 9.07880
  • PSA : 26.30000
  • 溶解度 : Insuluble (5.4E-7 g/L) (25 ºC),
  • 密度 : 0.986±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 452.36500
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 9
  • 重原子数量 : 33
  • 复杂度 : 554
  • 拓扑分子极性表面积 : 26.3

4-(反式,反式-4-丙基双环己基)甲酸-4'-(反式-4-丙基环己基)苯酚酯(88038-92-0)推荐厂家 更多厂家(13)