Cas no 25237-96-1 (1-Ethyl-1-methylbutyl hydroperoxide)
25237-96-1 structure
Product Name:1-Ethyl-1-methylbutyl hydroperoxide
CAS No:25237-96-1
MF:C7H16O2
MW:132.200742721558
CID:2661257
PubChem ID:22918793
Update Time:2025-04-21
1-Ethyl-1-methylbutyl hydroperoxide Chemical and Physical Properties
Names and Identifiers
-
- 3-hydroperoxy-3-methylhexane
- DTXCID20579667
- 25237-96-1
- 3-Methylhexane-3-peroxol
- SCHEMBL8769679
- DTXSID90628914
- 1-Ethyl-1-methylbutyl hydroperoxide
-
- Inchi： 1S/C7H16O2/c1-4-6-7(3,5-2)9-8/h8H,4-6H2,1-3H3
- InChI Key： YDBMAIVJCSJSKQ-UHFFFAOYSA-N
- SMILES： O(C(C)(CC)CCC)O
Computed Properties
- Exact Mass: 132.115029749g/mol
- Monoisotopic Mass: 132.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 73.3
- 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
- Topological Polar Surface Area: 29.5?2
1-Ethyl-1-methylbutyl hydroperoxide Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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