Cas no 88919-73-7 (1,2,5-Trioxaspiro[5.5]undecan-4-one, 3-(1,1-dimethylethyl)-)
![1,2,5-Trioxaspiro[5.5]undecan-4-one, 3-(1,1-dimethylethyl)- structure](https://ossimg.kuujia.com/scimg/89000/88919-73-7x500.png)
88919-73-7 structure
Product Name:1,2,5-Trioxaspiro[5.5]undecan-4-one, 3-(1,1-dimethylethyl)-
CAS No:88919-73-7
MF:C12H20O4
MW:228.284804344177
CID:619706
PubChem ID:13734284
Update Time:2025-04-19
1,2,5-Trioxaspiro[5.5]undecan-4-one, 3-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,5-Trioxaspiro[5.5]undecan-4-one, 3-(1,1-dimethylethyl)-
- 3-tert-butyl-1,2,5-trioxaspiro[5.5]undecan-4-one
- 88919-73-7
- DTXSID80547948
-
- Inchi： 1S/C12H20O4/c1-11(2,3)9-10(13)14-12(16-15-9)7-5-4-6-8-12/h9H,4-8H2,1-3H3
- InChI Key： HJUKRANPKPUSBU-UHFFFAOYSA-N
- SMILES： O1C(C(C(C)(C)C)OOC21CCCCC2)=O
Computed Properties
- Exact Mass: 228.13615911g/mol
- Monoisotopic Mass: 228.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 273
- 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: 3.3
- Topological Polar Surface Area: 44.8?2
1,2,5-Trioxaspiro[5.5]undecan-4-one, 3-(1,1-dimethylethyl)- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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