1,4:5,8-二甲萘,1,4,4a,5,8,8a-六氢-(1a,4a,4aa,5a,8a,8aa)- | 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)-
1076-13-7
C12H14
158.2396
名称和标识符
InChIKey |
ZSJSPFJUHHVKQB-UHFFFAOYSA-N |
Inchi |
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 |
C1=CC2CC1C1C3C=CC(C3)C12 |
别名信息
- 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
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 |