Cas no 58763-45-4 (3-Hexanone, 2-bromo-2,4,4,5,5-pentamethyl-)
58763-45-4 structure
Product Name:3-Hexanone, 2-bromo-2,4,4,5,5-pentamethyl-
CAS No:58763-45-4
MF:C11H21BrO
MW:249.187843084335
CID:340972
PubChem ID:71443368
Update Time:2025-04-19
3-Hexanone, 2-bromo-2,4,4,5,5-pentamethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Hexanone, 2-bromo-2,4,4,5,5-pentamethyl-
- 2-bromo-2,4,4,5,5-pentamethylhexan-3-one
- DTXSID70852194
- 58763-45-4
-
- Inchi： 1S/C11H21BrO/c1-9(2,3)10(4,5)8(13)11(6,7)12/h1-7H3
- InChI Key： XPPWKHFZJKAFPH-UHFFFAOYSA-N
- SMILES： BrC(C)(C)C(C(C)(C)C(C)(C)C)=O
Computed Properties
- Exact Mass: 248.07763
- Monoisotopic Mass: 248.07758g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 209
- 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: 3.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
3-Hexanone, 2-bromo-2,4,4,5,5-pentamethyl- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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