Cas no 25593-97-9 (Decanoic acid, 3-butyl-2-cyano-3-ethyl-, ethyl ester)
25593-97-9 structure
Product Name:Decanoic acid, 3-butyl-2-cyano-3-ethyl-, ethyl ester
CAS No:25593-97-9
MF:C19H35NO2
MW:309.486706018448
CID:290688
PubChem ID:256505
Update Time:2025-04-19
Decanoic acid, 3-butyl-2-cyano-3-ethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Decanoic acid, 3-butyl-2-cyano-3-ethyl-, ethyl ester
- ethyl 3-butyl-2-cyano-3-ethyldecanoate
- AC1L5UR3
- AC1Q4QKB
- AG-K-06626
- AR-1I8804
- CTK1A7824
- Ethyl-2-cyano-3-ethyl-3-n-butyl-decanoat
- NSC83383
- 25593-97-9
- NSC-83383
- DTXSID00292524
-
- Inchi： 1S/C19H35NO2/c1-5-9-11-12-13-15-19(7-3,14-10-6-2)17(16-20)18(21)22-8-4/h17H,5-15H2,1-4H3
- InChI Key： WCNMOCUDNHOEHP-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C#N)C(CC)(CCCC)CCCCCCC)=O
Computed Properties
- Exact Mass: 309.26695
- Monoisotopic Mass: 309.266779359g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 14
- Complexity: 345
- 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: 7.5
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09
- LogP: 5.63638
Decanoic acid, 3-butyl-2-cyano-3-ethyl-, ethyl ester Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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