250-25-9 (戊二烯,Pentalene)

快速询单

结构式：

戊二烯MOL文件

CAS号：

250-25-9

中文名称：

戊二烯

英文名称：

Pentalene

分子式：

C₈H₆

分子量：

102.13324213028

戊二烯(250-25-9)名称与标识符

名称

英文别名：

Pentalene;Bicyclo[3.3.0]octane,octadehydro-;Bicyclo[3.3.0]octatetraene;Bicyclo(3.3.0)octatetraene;UNII-E5A3KT7S2A;Bicyclo(3.3.0)octane, octadehydro-;DTXSID70420115;250-25-9;CHEBI:33074;AKOS024437737;Q3554979;E5A3KT7S2A;

标识符

InChIKey：

GUVXZFRDPCKWEM-UHFFFAOYSA-N

Inchi：

1S/C8H6/c1-3-7-5-2-6-8(7)4-1/h1-6H

SMILES：

C12C=CC=C1C=CC=2

戊二烯(250-25-9)物化性质

实验特性

PSA : 0

计算特性

精确分子量 : 102.04698
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 : 102.0469501914g/mol
重原子数量 : 8
复杂度 : 174
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） : 2
拓扑分子极性表面积 : 0Å²

戊二烯(250-25-9)相关文献

1. Mononuclear bis(pentalene) sandwich compounds of the first-row transition metals: variable hapticity of the pentalene rings and intramolecular coupling reactions
Huidong Li,Hao Feng,Weiguo Sun,Yaoming Xie,R. Bruce King,Henry F. Schaefer III New J. Chem. 2011 35 1718
2. Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins
Gábor London,Margarete von Wantoch Rekowski,Oliver Dumele,W. Bernd Schweizer,Jean-Paul Gisselbrecht,Corinne Boudon,Fran?ois Diederich Chem. Sci. 2014 5 965
3. Facile synthesis of a pyrrole-fused dibenzo[a,e]pentalene and its application as a new extended, ladder-type fused aromatic system
Cheng Li,Chunming Liu,Yan Li,Xiaozhang Zhu,Zhaohui Wang Chem. Commun. 2015 51 693
4. Analysis of the magnetically induced current density of molecules consisting of annelated aromatic and antiaromatic hydrocarbon rings
Dage Sundholm,Raphael J. F. Berger,Heike Fliegl Phys. Chem. Chem. Phys. 2016 18 15934
5. The effect of two types of dibenzoannulation of pentalene on molecular energies and magnetically induced currents
Marija Baranac-Stojanovi?,Milovan Stojanovi? Phys. Chem. Chem. Phys. 2019 21 3250
6. The transient absorption of 1,3,5-tri-tert-butyl-pentalene
Laura Bussotti,Paolo Foggi,Cristina Gellini,Laura Moroni,Pier Remigio Salvi Phys. Chem. Chem. Phys. 2001 3 3027
7. Hydrocarbon complexes of iron, ruthenium, and osmium. Part 12. Triruthenium complexes of pentalene derived from cyclo-octatetraenes and cyclo-octatrienes
Selby A. R. Knox,Ronald J. McKinney,Victor Riera,F. Gordon A. Stone,Anne C. Szary J. Chem. Soc. Dalton Trans. 1979 1801
8. Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction
Keisuke Takahashi,Shingo Ito,Ryo Shintani,Kyoko Nozaki Chem. Sci. 2017 8 101
9. The influence of heteroatoms on the aromatic character and the current pathways of B2N2-dibenzo[a,e]pentalenes
Maria Dimitrova,Heike Fliegl,Dage Sundholm Phys. Chem. Chem. Phys. 2017 19 20213
10. Pentalene complexes of ruthenium: two isomeric forms of triruthenium carbonyl clusters with face- and edge-bridging pentalene ligands: crystal structures of two isomers of [Ru3(CO)8{C8H3(SiMe3)3-1,3,5}]
Judith A. K. Howard,Robert F. D. Stansfield,Peter Woodward J. Chem. Soc. Dalton Trans. 1979 1812