Cas no 96536-76-4 (2,6,7-Trioxabicyclo[2.2.2]octane, 1-ethenyl-4-methyl-)
![2,6,7-Trioxabicyclo[2.2.2]octane, 1-ethenyl-4-methyl- structure](https://ossimg.kuujia.com/scimg/97000/96536-76-4x500.png)
96536-76-4 structure
Product Name:2,6,7-Trioxabicyclo[2.2.2]octane, 1-ethenyl-4-methyl-
CAS No:96536-76-4
MF:C8H12O3
MW:156.179082870483
CID:751401
PubChem ID:13840971
Update Time:2025-04-19
2,6,7-Trioxabicyclo[2.2.2]octane, 1-ethenyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,6,7-Trioxabicyclo[2.2.2]octane, 1-ethenyl-4-methyl-
- 4-ethenyl-1-methyl-3,5,8-trioxabicyclo[2.2.2]octane
- DTXSID20551004
- 1-Ethenyl-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
- 96536-76-4
- 1-Vinyl-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane
-
- Inchi： 1S/C8H12O3/c1-3-8-9-4-7(2,5-10-8)6-11-8/h3H,1,4-6H2,2H3
- InChI Key： LVUZHPRJZZIPTH-UHFFFAOYSA-N
- SMILES： O1C2(C=C)OCC(C)(CO2)C1
Computed Properties
- Exact Mass: 156.078644241g/mol
- Monoisotopic Mass: 156.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 163
- 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
- XLogP3: 0.7
- Topological Polar Surface Area: 27.7?2
2,6,7-Trioxabicyclo[2.2.2]octane, 1-ethenyl-4-methyl- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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