Cas no 35087-19-5 (5,11,14-Eicosatriynoicacid)
5,11,14-Eicosatriynoicacid structure
Product Name:5,11,14-Eicosatriynoicacid
CAS No:35087-19-5
MF:C20H28O2
MW:300.435126304626
CID:314571
PubChem ID:3082413
Update Time:2025-04-19
5,11,14-Eicosatriynoicacid Chemical and Physical Properties
Names and Identifiers
-
- 5,11,14-Eicosatriynoicacid
- icosa-5,11,14-triynoic acid
- DTXSID50188584
- SCHEMBL10458468
- Icosa-5,11,14-trynoic acid
- 35087-19-5
- 5,11,14-Eicosatriynoic acid
- Eicosa-5,11,14-trynoic acid
-
- Inchi： 1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11-14,17-19H2,1H3,(H,21,22)
- InChI Key： PUFHKZOLKIZNMC-UHFFFAOYSA-N
- SMILES： OC(CCCC#CCCCCC#CCC#CCCCCC)=O
Computed Properties
- Exact Mass: 300.20904
- Monoisotopic Mass: 300.209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 9
- Complexity: 489
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.99
- Boiling Point: 463.3°Cat760mmHg
- Flash Point: 218.3°C
- Refractive Index: 1.507
- PSA: 37.3
5,11,14-Eicosatriynoicacid Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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