Cas no 22773-09-7 (1-Oxaspiro[4.5]dec-3-en-2-one,4,7,7-trimethyl-)
![1-Oxaspiro[4.5]dec-3-en-2-one,4,7,7-trimethyl- structure](https://ossimg.kuujia.com/scimg/23000/22773-09-7x500.png)
22773-09-7 structure
Product Name:1-Oxaspiro[4.5]dec-3-en-2-one,4,7,7-trimethyl-
CAS No:22773-09-7
MF:C12H18O2
MW:194.270123958588
CID:282778
PubChem ID:339069
Update Time:2025-04-19
1-Oxaspiro[4.5]dec-3-en-2-one,4,7,7-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Oxaspiro[4.5]dec-3-en-2-one,4,7,7-trimethyl-
- 4,7,7-trimethyl-1-oxaspiro[4.5]dec-3-en-2-one
- NSC364000
- NSC-364000
- 4,7,7-trimethyl-1-oxaspiro[4.5]dec-3-en-2-on
- DTXSID60320756
- 22773-09-7
- NSC 364000
- 4,7,7-Trimethyl-1-oxaspiro(4.5)dec-3-en-2-one
-
- Inchi： 1S/C12H18O2/c1-9-7-10(13)14-12(9)6-4-5-11(2,3)8-12/h7H,4-6,8H2,1-3H3
- InChI Key： BIIZRDGLQKAPCR-UHFFFAOYSA-N
- SMILES： O1C(C=C(C)C21CCCC(C)(C)C2)=O
Computed Properties
- Exact Mass: 194.13074
- Monoisotopic Mass: 194.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 301
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.04
- Boiling Point: 317°Cat760mmHg
- Flash Point: 130.3°C
- Refractive Index: 1.501
- PSA: 26.3
- LogP: 2.82850
1-Oxaspiro[4.5]dec-3-en-2-one,4,7,7-trimethyl- 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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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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