Cas no 90052-78-1 (Bicyclo[2.2.2]oct-5-en-2-one, 1,3,3,5,6-pentamethyl-)
![Bicyclo[2.2.2]oct-5-en-2-one, 1,3,3,5,6-pentamethyl- structure](https://ossimg.kuujia.com/scimg/90500/90052-78-1x500.png)
90052-78-1 structure
Product Name:Bicyclo[2.2.2]oct-5-en-2-one, 1,3,3,5,6-pentamethyl-
CAS No:90052-78-1
MF:C13H20O
MW:192.297304153442
CID:795475
PubChem ID:20261316
Update Time:2025-04-19
Bicyclo[2.2.2]oct-5-en-2-one, 1,3,3,5,6-pentamethyl- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.2]oct-5-en-2-one, 1,3,3,5,6-pentamethyl-
- 2,2,4,5,6-pentamethylbicyclo[2.2.2]oct-5-en-3-one
- MGZLYKWFWJURBA-UHFFFAOYSA-N
- 90052-78-1
- DTXSID00604269
- 1,3,3,5,6-Pentamethylbicyclo[2.2.2]oct-5-en-2-one
- 1,3,3,5,6-pentamethyl-bicyclo[2.2.2]octa-5-en-2-one
- SCHEMBL10951101
-
- Inchi： 1S/C13H20O/c1-8-9(2)13(5)7-6-10(8)12(3,4)11(13)14/h10H,6-7H2,1-5H3
- InChI Key： MGZLYKWFWJURBA-UHFFFAOYSA-N
- SMILES： O=C1C(C)(C)C2C(C)=C(C)C1(C)CC2
Computed Properties
- Exact Mass: 192.151415257g/mol
- Monoisotopic Mass: 192.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 335
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 17.1?2
Bicyclo[2.2.2]oct-5-en-2-one, 1,3,3,5,6-pentamethyl- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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