Cas no 57785-44-1 (Oxacyclohexadecane-2,13-dione, 16-ethyl-)
57785-44-1 structure
Product Name:Oxacyclohexadecane-2,13-dione, 16-ethyl-
CAS No:57785-44-1
MF:C17H30O3
MW:282.418305873871
CID:344202
PubChem ID:71443979
Update Time:2025-04-19
Oxacyclohexadecane-2,13-dione, 16-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Oxacyclohexadecane-2,13-dione, 16-ethyl-
- 16-ethyl-oxacyclohexadecane-2,13-dione
- 57785-44-1
- DTXSID20852780
- 16-ETHYL-1-OXACYCLOHEXADECANE-2,13-DIONE
-
- Inchi： 1S/C17H30O3/c1-2-16-14-13-15(18)11-9-7-5-3-4-6-8-10-12-17(19)20-16/h16H,2-14H2,1H3
- InChI Key： RBVISHJQKSLULJ-UHFFFAOYSA-N
- SMILES： O1C(CCCCCCCCCCC(CCC1CC)=O)=O
Computed Properties
- Exact Mass: 282.2196
- Monoisotopic Mass: 282.21949481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 286
- 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: 4.8
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Oxacyclohexadecane-2,13-dione, 16-ethyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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