Cas no 13393-68-5 (Hydroperoxide,1,1-dimethylbutyl)
13393-68-5 structure
Product Name:Hydroperoxide,1,1-dimethylbutyl
CAS No:13393-68-5
MF:C6H14O2
MW:118.174162387848
CID:119537
PubChem ID:14069528
Update Time:2025-04-18
Hydroperoxide,1,1-dimethylbutyl Chemical and Physical Properties
Names and Identifiers
-
- Hydroperoxide,1,1-dimethylbutyl
- 2-hydroperoxy-2-methylpentane
- T-HEXYL HYDROPEROXIDE
- 1,1-dimethylbutyl hydroperoxide
- 1,1-dimethyl-butyl hydroperoxide
- 1,2-Dimethyl-butyl-hydroperoxid
- AG-D-69207
- CTK4B8888
- Hydroperoxide, tert-hexyl
- tert.-Hexyl-hydroperoxid
- DTXSID70555395
- SCHEMBL208890
- 2-Methylpentane-2-peroxol
- BZGMEGUFFDTCNP-UHFFFAOYSA-N
- 13393-68-5
-
- Inchi： 1S/C6H14O2/c1-4-5-6(2,3)8-7/h7H,4-5H2,1-3H3
- InChI Key： BZGMEGUFFDTCNP-UHFFFAOYSA-N
- SMILES： O(C(C)(C)CCC)O
Computed Properties
- Exact Mass: 118.099379685g/mol
- Monoisotopic Mass: 118.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 59.5
- 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: 1.5
- Topological Polar Surface Area: 29.5?2
Hydroperoxide,1,1-dimethylbutyl Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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