Cas no 69362-53-4 (Cyclohexanone, 2-(2,2-dimethyl-1-oxopropyl)-5-methyl-, cis-)
69362-53-4 structure
Product Name:Cyclohexanone, 2-(2,2-dimethyl-1-oxopropyl)-5-methyl-, cis-
CAS No:69362-53-4
MF:C12H20O2
MW:196.286004066467
CID:391884
PubChem ID:71374447
Update Time:2025-04-19
Cyclohexanone, 2-(2,2-dimethyl-1-oxopropyl)-5-methyl-, cis- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 2-(2,2-dimethyl-1-oxopropyl)-5-methyl-, cis-
- (2S,5R)-2-(2,2-dimethylpropanoyl)-5-methylcyclohexan-1-one
- 69362-53-4
- DTXSID40797225
-
- Inchi： 1S/C12H20O2/c1-8-5-6-9(10(13)7-8)11(14)12(2,3)4/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
- InChI Key： KPCQDPTYWVZONZ-BDAKNGLRSA-N
- SMILES： O=C1C[C@H](C)CC[C@@H]1C(C(C)(C)C)=O
Computed Properties
- Exact Mass: 196.1464
- Monoisotopic Mass: 196.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 248
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Cyclohexanone, 2-(2,2-dimethyl-1-oxopropyl)-5-methyl-, cis- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
69362-53-4 (Cyclohexanone, 2-(2,2-dimethyl-1-oxopropyl)-5-methyl-, cis-) Related Products
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