1076-13-7 (1,4:5,8-二甲萘,1,4,4a,5,8,8a-六氢-(1a,4a,4aa,5a,8a,8aa)-,1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-, (1a,4a,4aa,5a,8a,8aa)-)

CAS号:
1076-13-7
中文名称:
1,4:5,8-二甲萘,1,4,4a,5,8,8a-六氢-(1a,4a,4aa,5a,8a,8aa)-
英文名称:
1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-, (1a,4a,4aa,5a,8a,8aa)-
分子式:
C12H14
分子量:
158.239563465118

1,4:5,8-二甲萘,1,4,4a,5,8,8a-六氢-(1a,4a,4aa,5a,8a,8aa)-(1076-13-7)名称与标识符

名称

英文别名:
1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-, (1a,4a,4aa,5a,8a,8aa)-;(1α,4α,4aα,5α,8α,8aα)-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene;1,4,4a,5,8,8a-Hexahydro-1,4-endo,endo-5,8-dimethanonaphthalene;1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-, endo,endo- (8CI);1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-,(1alpha,4alpha,4aalpha,5alpha,8alpha,8aalpha)-;1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-,(1.alpha.,4.alpha.,4a.alpha.,5.beta.,8.beta.,8a.alpha.)-;1076-13-7;RCL T214639;1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene;1,4,5,8-Dimethanonaphthalene, 1,4,4a,5,8,8a-hexahydro-, (1.alpha.,4.alpha.,4a.beta.,5.alpha.,8.alpha.,8a.beta.)-;1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-,(1.alpha.,4.alpha.,4a.alpha.,5.alpha.,8.alpha.,8a.alpha.)-;DTXSID80910375;15914-94-0;1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-,(1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-;1,4,5,8-Dimethanonaphthalene, 1,4,4a,5,8,8a-hexahydro-, (1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-;83602-18-0;

标识符

InChIKey:
ZSJSPFJUHHVKQB-UHFFFAOYSA-N
Inchi:
1S/C12H14/c1-2-8-5-7(1)11-9-3-4-10(6-9)12(8)11/h1-4,7-12H,5-6H2
SMILES:
C12C3C=CC(C3)C1C1C=CC2C1

1,4:5,8-二甲萘,1,4,4a,5,8,8a-六氢-(1a,4a,4aa,5a,8a,8aa)-(1076-13-7)物化性质

实验特性

  • 折射率 : 1.599
  • 沸点 : 228.2°Cat760mmHg
  • 闪点 : 68.7°C
  • 密度 : 1.11

计算特性

  • 精确分子量 : 158.11
  • 氢键供体数量 : 0
  • 氢键受体数量 : 0
  • 可旋转化学键数量 : 0
  • 同位素质量 : 158.11
  • 重原子数量 : 12
  • 复杂度 : 232
  • 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 : 4
  • 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) : 2.8
  • 拓扑分子极性表面积 : 0Ų