Cas no 59941-35-4 (Dodecanoic acid, 4-oxo-, ethyl ester)
59941-35-4 structure
Product Name:Dodecanoic acid, 4-oxo-, ethyl ester
CAS No:59941-35-4
MF:C14H26O3
MW:242.354444980621
CID:336740
PubChem ID:12271531
Update Time:2025-04-19
Dodecanoic acid, 4-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Dodecanoic acid, 4-oxo-, ethyl ester
- ethyl 4-oxododecanoate
- 59941-35-4
- ethyl 4-ketododecanoate
- DTXSID10483446
-
- Inchi: 1S/C14H26O3/c1-3-5-6-7-8-9-10-13(15)11-12-14(16)17-4-2/h3-12H2,1-2H3
- InChI Key: GSECHIHYKBKSOK-UHFFFAOYSA-N
- SMILES: O=C(CCC(=O)OCC)CCCCCCCC
Computed Properties
- Exact Mass: 242.18828
- Monoisotopic Mass: 242.18819469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 12
- Complexity: 212
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Dodecanoic acid, 4-oxo-, ethyl ester Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
59941-35-4 (Dodecanoic acid, 4-oxo-, ethyl ester) Related Products
- 110-38-3(Ethyl decanoate)
- 106-32-1(Ethyl n-Caprylate)
- 106-02-5(ω-Pentadecalactone)
- 539-88-8(Ethyl levulinate)
- 106-30-9(Ethyl Heptanoate(Heptanoic Acid Ethyl Ester))
- 106-33-2(Ethyl Laurate(Ethyl Dodecanoate))
- 105-50-0(Diethyl 3-oxopentanedioate)
- 109-43-3(dibutyl sebacate)
- 123-29-5(Ethyl nonanoate)
- 124-06-1(Ethyl Myristate)
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