Cas no 59404-47-6 (2,4-Hexadecadienoic acid, ethyl ester, (E,E)-)
59404-47-6 structure
Product Name:2,4-Hexadecadienoic acid, ethyl ester, (E,E)-
CAS No:59404-47-6
MF:C18H32O2
MW:280.445486068726
CID:338775
PubChem ID:54247501
Update Time:2025-04-19
2,4-Hexadecadienoic acid, ethyl ester, (E,E)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadecadienoic acid, ethyl ester, (E,E)-
- ethyl hexadeca-2,4-dienoate
- DTXSID80710034
- QUHRGXQJTPAPQQ-UHFFFAOYSA-N
- 59404-47-6
- ethylhexadecadienoate
-
- Inchi： 1S/C18H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h14-17H,3-13H2,1-2H3
- InChI Key： QUHRGXQJTPAPQQ-UHFFFAOYSA-N
- SMILES： O(CC)C(C=CC=CCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 280.24036
- Monoisotopic Mass: 280.240230259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 267
- 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: 7.3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2,4-Hexadecadienoic acid, ethyl ester, (E,E)- Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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