Cas no 61685-13-0 (2,6,10-Dodecatrienoic acid, 3,7-diethyl-11-methyl-, (E,E)-)
61685-13-0 structure
Product Name:2,6,10-Dodecatrienoic acid, 3,7-diethyl-11-methyl-, (E,E)-
CAS No:61685-13-0
MF:C17H28O2
MW:264.403025627136
CID:470106
PubChem ID:71393399
Update Time:2025-04-19
2,6,10-Dodecatrienoic acid, 3,7-diethyl-11-methyl-, (E,E)- Chemical and Physical Properties
Names and Identifiers
-
- 2,6,10-Dodecatrienoic acid, 3,7-diethyl-11-methyl-, (E,E)-
- 3,7-diethyl-11-methyldodeca-2,6,10-trienoic acid
- 61685-13-0
- DTXSID30815164
-
- Inchi： 1S/C17H28O2/c1-5-15(10-7-9-14(3)4)11-8-12-16(6-2)13-17(18)19/h9,11,13H,5-8,10,12H2,1-4H3,(H,18,19)
- InChI Key： IEEHFDTZYYSKPI-UHFFFAOYSA-N
- SMILES： OC(C=C(CC)CCC=C(CC)CC/C=C(\C)/C)=O
Computed Properties
- Exact Mass: 264.20904
- Monoisotopic Mass: 264.208930132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 356
- 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
- XLogP3: 5.8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2,6,10-Dodecatrienoic acid, 3,7-diethyl-11-methyl-, (E,E)- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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