Cas no 20306-13-2 (Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-(2-butoxyethoxy)ethyl ester)
20306-13-2 structure
Product Name:Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-(2-butoxyethoxy)ethyl ester
CAS No:20306-13-2
MF:C18H32O4
MW:312.444286346436
CID:288086
PubChem ID:347445
Update Time:2025-04-19
Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-(2-butoxyethoxy)ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-(2-butoxyethoxy)ethyl ester
- 2-(2-butoxyethoxy)ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
- AC1L87C0
- NSC406116
- NSC-406116
- 20306-13-2
- DTXSID80324251
-
- Inchi： 1S/C18H32O4/c1-6-7-8-20-9-10-21-11-12-22-17(19)16-15(13-14(2)3)18(16,4)5/h13,15-16H,6-12H2,1-5H3
- InChI Key： JNOHAIHRZRROIF-UHFFFAOYSA-N
- SMILES： O(CCOCCOCCCC)C(C1C(/C=C(\C)/C)C1(C)C)=O
Computed Properties
- Exact Mass: 312.23016
- Monoisotopic Mass: 312.23005950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 12
- Complexity: 369
- 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: 4.7
- Topological Polar Surface Area: 44.8?2
Experimental Properties
- PSA: 44.76
- LogP: 3.60130
Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-(2-butoxyethoxy)ethyl ester Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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