Cas no 53586-63-3 (1,3-Dioxepin, 2-(1,1-dimethylethyl)-4,7-dihydro-)
53586-63-3 structure
Product Name:1,3-Dioxepin, 2-(1,1-dimethylethyl)-4,7-dihydro-
CAS No:53586-63-3
MF:C9H16O2
MW:156.222143173218
CID:356920
PubChem ID:11062630
Update Time:2025-04-19
1,3-Dioxepin, 2-(1,1-dimethylethyl)-4,7-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxepin, 2-(1,1-dimethylethyl)-4,7-dihydro-
- 2-tert-butyl-4,7-dihydro-1,3-dioxepine
- JSROIHUHSNGIMB-UHFFFAOYSA-N
- 2-t-butyl-4,7-dihydro-1,3-dioxepin
- SCHEMBL10652829
- 53586-63-3
- DTXSID60453750
- 2-tert-butyl-4,7-dihydro-1,3-dioxepin
-
- Inchi： 1S/C9H16O2/c1-9(2,3)8-10-6-4-5-7-11-8/h4-5,8H,6-7H2,1-3H3
- InChI Key： JSROIHUHSNGIMB-UHFFFAOYSA-N
- SMILES： O1CC=CCOC1C(C)(C)C
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 134
- 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: 2
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- PSA: 18.46
1,3-Dioxepin, 2-(1,1-dimethylethyl)-4,7-dihydro- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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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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4. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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