Cas no 15839-52-8 (Ethyl 2-(5-(tert-butyl)-2-oxocyclohexyl)-2-oxoacetate)
15839-52-8 structure
Product Name:Ethyl 2-(5-(tert-butyl)-2-oxocyclohexyl)-2-oxoacetate
CAS No:15839-52-8
MF:C14H22O4
MW:254.322084903717
CID:2101454
Update Time:2023-08-03
Ethyl 2-(5-(tert-butyl)-2-oxocyclohexyl)-2-oxoacetate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-(5-tert-butyl-2-oxocyclohexyl)-2-oxoacetate
- (5-tert-butyl-2-oxo-cyclohexyl)-oxo-acetic acid ethyl ester
- Ethyl 2-(5-(tert-butyl)-2-oxocyclohexyl)-2-oxoacetate
- ethyl 2-(5-tert-butyl-2-oxocyclohexyl)-2-oxoacetat
- Cyclohexaneacetic acid, 5-(1,1-dimethylethyl)-?,2-dioxo-, ethyl ester
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- Inchi： 1S/C14H22O4/c1-5-18-13(17)12(16)10-8-9(14(2,3)4)6-7-11(10)15/h9-10H,5-8H2,1-4H3
- InChI Key： JDVADZWHSSAAKA-UHFFFAOYSA-N
- SMILES： O=C1CCC(CC1C(C(=O)OCC)=O)C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 351
- Topological Polar Surface Area: 60.4
Ethyl 2-(5-(tert-butyl)-2-oxocyclohexyl)-2-oxoacetate Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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