Cas no 68327-30-0 (diethyl 2-oxocyclohexane-1,3-dicarboxylate)
68327-30-0 structure
Product Name:diethyl 2-oxocyclohexane-1,3-dicarboxylate
CAS No:68327-30-0
MF:C12H18O5
MW:242.268324375153
CID:970111
PubChem ID:236578
Update Time:2025-04-19
diethyl 2-oxocyclohexane-1,3-dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- diethyl 2-oxocyclohexane-1,3-dicarboxylate
- 2-Oxo-cyclohexan-1,3-dicarbonsaeure-diaethylester
- 2-oxo-cyclohexane-1,3-dicarboxylic acid diethyl ester
- diethyl cyclohexanone-2,6-dicarboxylate
- NSC39186
- SCHEMBL4077853
- DTXSID20284825
- 68327-30-0
- NSC-39186
-
- Inchi： 1S/C12H18O5/c1-3-16-11(14)8-6-5-7-9(10(8)13)12(15)17-4-2/h8-9H,3-7H2,1-2H3
- InChI Key： JBOQXRQXAWAUPC-UHFFFAOYSA-N
- SMILES： O=C1C(C(=O)OCC)CCCC1C(=O)OCC
Computed Properties
- Exact Mass: 242.11500
- Monoisotopic Mass: 242.11542367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 282
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67000
- LogP: 1.09800
diethyl 2-oxocyclohexane-1,3-dicarboxylate Related Literature
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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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3. 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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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
68327-30-0 (diethyl 2-oxocyclohexane-1,3-dicarboxylate) Related Products
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- 1655-07-8(ethyl 2-oxocyclohexane-1-carboxylate)
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- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
- 570-08-1(Diethyl 2-Acetylmalonate)
- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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