Cas no 58763-43-2 (3-Hexanone, 4-bromo-4-ethyl-2,2-dimethyl-)
58763-43-2 structure
Product Name:3-Hexanone, 4-bromo-4-ethyl-2,2-dimethyl-
CAS No:58763-43-2
MF:C10H19BrO
MW:235.161262750626
CID:340974
PubChem ID:15584307
Update Time:2025-04-19
3-Hexanone, 4-bromo-4-ethyl-2,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexanone, 4-bromo-4-ethyl-2,2-dimethyl-
- 4-bromo-4-ethyl-2,2-dimethylhexan-3-one
- 58763-43-2
- DTXSID20574970
-
- Inchi： 1S/C10H19BrO/c1-6-10(11,7-2)8(12)9(3,4)5/h6-7H2,1-5H3
- InChI Key： GVOPJKLNQDLORC-UHFFFAOYSA-N
- SMILES： BrC(CC)(CC)C(C(C)(C)C)=O
Computed Properties
- Exact Mass: 234.06197
- Monoisotopic Mass: 234.06193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 163
- 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: 3.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3-Hexanone, 4-bromo-4-ethyl-2,2-dimethyl- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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