Cas no 918799-09-4 ((4R,5R,6S)-4-Ethyl-2,2,5-trimethyl-6-(4-nitrophenyl)-1,3-dioxane)
918799-09-4 structure
Product Name:(4R,5R,6S)-4-Ethyl-2,2,5-trimethyl-6-(4-nitrophenyl)-1,3-dioxane
CAS No:918799-09-4
MF:C15H21NO4
MW:279.33154463768
CID:770874
Update Time:2023-08-03
(4R,5R,6S)-4-Ethyl-2,2,5-trimethyl-6-(4-nitrophenyl)-1,3-dioxane Chemical and Physical Properties
Names and Identifiers
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- 1,3-Dioxane, 4-ethyl-2,2,5-trimethyl-6-(4-nitrophenyl)-, (4R,5R,6S)-
- (4R,5R,6S)-4-ethyl-2,2,5-trimethyl-6-(4-nitrophenyl)-1,3-dioxane
- (4R,5R,6S)-4-Ethyl-2,2,5-trimethyl-6-(4-nitrophenyl)-1,3-dioxane
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- Inchi： 1S/C15H21NO4/c1-5-13-10(2)14(20-15(3,4)19-13)11-6-8-12(9-7-11)16(17)18/h6-10,13-14H,5H2,1-4H3/t10-,13-,14+/m1/s1
- InChI Key： OTRFVKWQQAVPHU-HONMWMINSA-N
- SMILES： O1C(C)(C)O[C@H](C2C=CC(=CC=2)[N+](=O)[O-])[C@H](C)[C@H]1CC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 344
- Topological Polar Surface Area: 64.3
(4R,5R,6S)-4-Ethyl-2,2,5-trimethyl-6-(4-nitrophenyl)-1,3-dioxane Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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