Cas no 311-75-1 (Bicyclo[1.1.1]pentane)
Bicyclo[1.1.1]pentane structure
Product Name:Bicyclo[1.1.1]pentane
Bicyclo[1.1.1]pentane Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[1.1.1]pentane
- Bicyclo(1.1.1)pentane
- [1]Staffane
- DTXSID60185044
- 311-75-1
-
- Inchi: 1S/C5H8/c1-4-2-5(1)3-4/h4-5H,1-3H2
- InChI Key: MKCBRYIXFFGIKN-UHFFFAOYSA-N
- SMILES: C12CC(C1)C2
Computed Properties
- Exact Mass: 68.06264
- Monoisotopic Mass: 68.0626
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 5
- Rotatable Bond Count: 0
- Complexity: 28.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
- XLogP3: 1.9
Experimental Properties
- Density: 0.976
- Boiling Point: 49.1°C at 760 mmHg
- Refractive Index: 1.517
- PSA: 0
Bicyclo[1.1.1]pentane Related Literature
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Magdalena Pecul,Helena Dodziuk,Micha? Jaszuński,Oleg Lukin,Jerzy Leszczyński Phys. Chem. Chem. Phys. 2001 3 1986
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Jiashun Zhu,Yirui Guo,Yuru Zhang,Wanmei Li,Pengfei Zhang,Jun Xu Green Chem. 2023 25 986
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Jiashun Zhu,Yirui Guo,Yuru Zhang,Wanmei Li,Pengfei Zhang,Jun Xu Green Chem. 2023 25 986
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Pavel K. Mykhailiuk Org. Biomol. Chem. 2019 17 2839
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Timo Augenstein,Pascual O?a-Burgos,Dominik Nied,Frank Breher Chem. Commun. 2012 48 6803
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