Cas no 93963-40-7 (Carbonic acid,1-cyclohexylethyl ethyl ester)
93963-40-7 structure
Product Name:Carbonic acid,1-cyclohexylethyl ethyl ester
CAS No:93963-40-7
MF:C11H20O3
MW:200.274703979492
CID:804194
PubChem ID:3023090
Update Time:2025-04-19
Carbonic acid,1-cyclohexylethyl ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonic acid,1-cyclohexylethyl ethyl ester
- 1-cyclohexylethyl ethyl carbonate
- DTXSID60916855
- 93963-40-7
- NS00063755
- EINECS 300-783-1
-
- Inchi： 1S/C11H20O3/c1-3-13-11(12)14-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
- InChI Key： RMEKEYDDFDWNSG-UHFFFAOYSA-N
- SMILES： O(C(=O)OCC)C(C)C1CCCCC1
Computed Properties
- Exact Mass: 200.14124450g/mol
- Monoisotopic Mass: 200.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 173
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 35.5?2
Carbonic acid,1-cyclohexylethyl 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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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