Cas no 201656-39-5 (8,10-Octadecadienoic acid, (8Z,10E)-)
201656-39-5 structure
Product Name:8,10-Octadecadienoic acid, (8Z,10E)-
CAS No:201656-39-5
MF:C18H32O2
MW:280.445486068726
CID:1391676
Update Time:2024-08-15
8,10-Octadecadienoic acid, (8Z,10E)- Chemical and Physical Properties
Names and Identifiers
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- 8,10-Octadecadienoic acid, (8Z,10E)-
-
- Inchi： 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-11H,2-7,12-17H2,1H3,(H,19,20)/b9-8+,11-10-
- InChI Key： QJKCKUNKNNYJNS-OCBXPSTGSA-N
- SMILES： C(O)(=O)CCCCCC/C=C\C=C\CCCCCCC
Computed Properties
- Exact Mass: 280.24036
- Monoisotopic Mass: 280.24
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- 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: 7.1
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- Density: 0.911±0.06 g/cm3(Predicted)
- Boiling Point: 413.2±24.0 °C(Predicted)
- PSA: 37.3
- pka: 4.77±0.10(Predicted)
8,10-Octadecadienoic acid, (8Z,10E)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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