Cas no 15898-58-5 (diethyl octa-2,6-dienedioate)
diethyl octa-2,6-dienedioate structure
Product Name:diethyl octa-2,6-dienedioate
CAS No:15898-58-5
MF:C12H18O4
MW:226.268924236298
CID:1337651
Update Time:2024-08-17
diethyl octa-2,6-dienedioate Chemical and Physical Properties
Names and Identifiers
-
- diethyl octa-2,6-dienedioate
- LogP
- 2,6-Octadienedioic acid, 1,8-diethyl ester
-
- Inchi： 1S/C12H18O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h7-10H,3-6H2,1-2H3
- InChI Key： VTZHQBVCIAKCLX-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)C=CCCC=CC(OCC)=O
Computed Properties
- Exact Mass: 226.12054
- Monoisotopic Mass: 226.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 238
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- Topological Polar Surface Area: 52.6A^2
Experimental Properties
- Density: 1.025
- Boiling Point: 317.087°C at 760 mmHg
- Flash Point: 151.652°C
- Refractive Index: 1.467
- PSA: 52.6
diethyl octa-2,6-dienedioate Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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