Cas no 62692-62-0 (4-Heptanone, 3-bromo-3-ethyl-5,5-dimethyl-)
62692-62-0 structure
Product Name:4-Heptanone, 3-bromo-3-ethyl-5,5-dimethyl-
CAS No:62692-62-0
MF:C11H21BrO
MW:249.187843084335
CID:434947
PubChem ID:71383750
Update Time:2025-04-19
4-Heptanone, 3-bromo-3-ethyl-5,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Heptanone, 3-bromo-3-ethyl-5,5-dimethyl-
- 3-bromo-3-ethyl-5,5-dimethylheptan-4-one
- 62692-62-0
- DTXSID80806047
-
- Inchi： 1S/C11H21BrO/c1-6-10(4,5)9(13)11(12,7-2)8-3/h6-8H2,1-5H3
- InChI Key： AWGZHOSUBWPULU-UHFFFAOYSA-N
- SMILES： BrC(CC)(CC)C(C(C)(C)CC)=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: 5
- Complexity: 181
- 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: 4.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
4-Heptanone, 3-bromo-3-ethyl-5,5-dimethyl- Related Literature
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
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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