Cas no 32829-97-3 (diethyl (2E,6E)-octa-2,6-dienedioate)
32829-97-3 structure
Product Name:diethyl (2E,6E)-octa-2,6-dienedioate
CAS No:32829-97-3
MF:C12H18O4
MW:226.268924236298
CID:1453447
PubChem ID:11031551
Update Time:2025-04-20
diethyl (2E,6E)-octa-2,6-dienedioate Chemical and Physical Properties
Names and Identifiers
-
- diethyl (2E,6E)-octa-2,6-dienedioate
- LogP
- Diethyl (2E,6E)-2,6-octadienedioate
- (2E,6E)-octa-2,6-dienedioic acid diethyl ester
- (2E,6E)-diethyl octa-2,6-dienedioate
- 32829-97-3
-
- 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/b9-7+,10-8+
- InChI Key： VTZHQBVCIAKCLX-FIFLTTCUSA-N
- SMILES： O(CC)C(/C=C/CC/C=C/C(=O)OCC)=O
Computed Properties
- Exact Mass: 226.12050905g/mol
- Monoisotopic Mass: 226.12050905g/mol
- 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: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 52.6?2
diethyl (2E,6E)-octa-2,6-dienedioate Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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