185-94-4 (双环[2.1.0]戊烷,Bicyclo[2.1.0]pentane)

快速询单

结构式：

双环[2.1.0]戊烷MOL文件

CAS号：

185-94-4

中文名称：

双环[2.1.0]戊烷

英文名称：

Bicyclo[2.1.0]pentane

分子式：

C₅H₈

分子量：

68.1170215606689

双环[2.1.0]戊烷(185-94-4)名称与标识符

名称

英文别名：

Bicyclo[2.1.0]pentane;Bicyclo(2.1.0)pentane;Bicyclo[2,1,0]pentane;housane;CHEBI:49287;MHLPKAGDPWUOOT-UHFFFAOYSA-N;WAV92PJQ5F;DTXSID90870491;185-94-4;Q248842;

标识符

InChIKey：

MHLPKAGDPWUOOT-UHFFFAOYSA-N

Inchi：

1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2

SMILES：

C12CCC1C2

双环[2.1.0]戊烷(185-94-4)物化性质

实验特性

PSA : 0
折射率 : 1.4770 (estimate)
沸点 : 45.5°C (estimate)
熔点 : 25°C
闪点 : °C
密度 : 0.6964 (estimate)

计算特性

精确分子量 : 68.06264
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 : 68.0626
重原子数量 : 5
复杂度 : 49.1
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 : 2
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） : 1.9
拓扑分子极性表面积 : 0

双环[2.1.0]戊烷(185-94-4)相关文献

1. Understanding the puzzling chemistry of bicyclo[2.1.0]pentane
Barry K. Carpenter Org. Biomol. Chem. 2004 2 103
2. Synthesis and ring opening reactions of a 2-silabicyclo[2.1.0]pentane
Gerhard Maas,Birgit Daucher,Alexandra Maier,Voker Gettwert Chem. Commun. 2004 238
3. Synthesis and fragmentation reactions of cyclic azo-compounds. Stereochemistry and transformations of photo-derived bicyclo[2,1,0]-pentanes, and thermal cycloreversion reactions of tricyclo[6,2,1,02,7]-undecatrienes and related compounds
W. P. Lay,K. Mackenzie,J. R. Telford J. Chem. Soc. C 1971 3199
4. Strain release – an old tool for new transformations
Joanna Turkowska,Jakub Durka,Dorota Gryko Chem. Commun. 2020 56 5718
5. Spin-forbidden heavy-atom tunneling in the ring-closure of triplet cyclopentane-1,3-diyl
Luís P. Viegas,Cláudio M. Nunes,Rui Fausto Phys. Chem. Chem. Phys. 2021 23 5797
6. Thermal 1,2-acetyl migration in bicyclo[2,1,0]pentane
M. J. Jorgeneson,A. F. Thacher J. Chem. Soc. D 1969 1030
7. Front side attack on the bicyclo[2.1.0]pentane system by halonium ion; halogenation of dehydronoriceane
Takeo Katsushima,Ryohei Yamaguchi,Satoshi Iemura,Mituyosi Kawanisi J. Chem. Soc. Chem. Commun. 1980 133
8. Synthesis of 2-substituted bicyclo[2.1.0]pentanes from bicyclo[3.1.0]hexan-2-one
Peter R. Brook,Bernard V. Brophy J. Chem. Soc. Perkin Trans. 1 1985 2509
9. Formation of an NHC-stabilized heterocyclic housane and its isomerization into a cyclopentenyl anion analogue
Benedikt J. Guddorf,Christian Mück-Lichtenfeld,Alexander Hepp,Felicitas Lips Chem. Commun. 2019 55 12896
10. The chemistry of localized singlet 1,3-diradicals (biradicals): from putative intermediates to persistent species and unusual molecules with a π-single bonded character
Manabu Abe,Jianhuai Ye,Megumi Mishima Chem. Soc. Rev. 2012 41 3808