Cas no 77882-09-8 (Cyclohexanone, 2,6-dimethyl-, (2S-trans)-)
77882-09-8 structure
Product Name:Cyclohexanone, 2,6-dimethyl-, (2S-trans)-
CAS No:77882-09-8
MF:C8H14O
MW:126.196162700653
CID:4185413
PubChem ID:7057991
Update Time:2025-04-24
Cyclohexanone, 2,6-dimethyl-, (2S-trans)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 2,6-dimethyl-, (2S-trans)-
- N52CJ6RV3K
- (2S,6S)-2,6-Dimethylcyclohexanone
- 77882-09-8
- 2,6-Dimethylcyclohexanone, trans-(+)-
- AC1OEJP7
- 766-43-8
- DTXCID90378427
- trans-2,6-dimethyl cyclohexanone
- Cyclohexanone, 2,6-dimethyl-, (2S,6S)-
- DTXSID20427593
-
- Inchi： 1S/C8H14O/c1-6-4-3-5-7(2)8(6)9/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
- InChI Key： AILVYPLQKCQNJC-BQBZGAKWSA-N
- SMILES： O=C1[C@@H](C)CCC[C@@H]1C
Computed Properties
- Exact Mass: 126.104465066Da
- Monoisotopic Mass: 126.104465066Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 106
- 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: 2.1
- Topological Polar Surface Area: 17.1?2
Cyclohexanone, 2,6-dimethyl-, (2S-trans)- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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