Cas no 61685-14-1 (2,6,10-Dodecatrienoic acid, 3-ethyl-7,11-dimethyl-, (E,E)-)
61685-14-1 structure
Product Name:2,6,10-Dodecatrienoic acid, 3-ethyl-7,11-dimethyl-, (E,E)-
CAS No:61685-14-1
MF:C16H26O2
MW:250.376445293427
CID:470105
PubChem ID:54177575
Update Time:2025-04-19
2,6,10-Dodecatrienoic acid, 3-ethyl-7,11-dimethyl-, (E,E)- Chemical and Physical Properties
Names and Identifiers
-
- 2,6,10-Dodecatrienoic acid, 3-ethyl-7,11-dimethyl-, (E,E)-
- 3-ethyl-7,11-dimethyldodeca-2,6,10-trienoic acid
- 61685-14-1
- DTXSID80709549
-
- Inchi： 1S/C16H26O2/c1-5-15(12-16(17)18)11-7-10-14(4)9-6-8-13(2)3/h8,10,12H,5-7,9,11H2,1-4H3,(H,17,18)
- InChI Key： OZMOBRKTYJXYIS-UHFFFAOYSA-N
- SMILES： OC(C=C(CC)CCC=C(C)CC/C=C(\C)/C)=O
Computed Properties
- Exact Mass: 250.19338
- Monoisotopic Mass: 250.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 342
- 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: 5.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2,6,10-Dodecatrienoic acid, 3-ethyl-7,11-dimethyl-, (E,E)- Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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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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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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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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