Cas no 1312678-21-9 (Isopropyl 2,6-dimethyl-4-oxocyclohexanecarboxylate)
1312678-21-9 structure
Product Name:Isopropyl 2,6-dimethyl-4-oxocyclohexanecarboxylate
CAS No:1312678-21-9
MF:C12H20O3
MW:212.285404205322
CID:2126357
Update Time:2023-08-04
Isopropyl 2,6-dimethyl-4-oxocyclohexanecarboxylate Chemical and Physical Properties
Names and Identifiers
-
- isopropyl 2,6-dimethyl-4-oxocyclohexanecarboxylate
- Cyclohexanecarboxylic acid, 2,6-dimethyl-4-oxo-, 1-methylethyl ester
- Isopropyl 2,6-dimethyl-4-oxocyclohexanecarboxylate
-
- Inchi： 1S/C12H20O3/c1-7(2)15-12(14)11-8(3)5-10(13)6-9(11)4/h7-9,11H,5-6H2,1-4H3
- InChI Key： SSEKMTKXNSYLLL-UHFFFAOYSA-N
- SMILES： O(C(C)C)C(C1C(C)CC(CC1C)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 244
- Topological Polar Surface Area: 43.4
Isopropyl 2,6-dimethyl-4-oxocyclohexanecarboxylate Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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