Cas no 14134-54-4 (15-Docosenoic acid)
15-Docosenoic acid structure
Product Name:15-Docosenoic acid
CAS No:14134-54-4
MF:C22H42O2
MW:338.567687511444
CID:1312060
PubChem ID:5312550
Update Time:2025-04-20
15-Docosenoic acid Chemical and Physical Properties
Names and Identifiers
-
- 15-Docosenoic acid
- SCHEMBL14645625
- 14134-54-4
- LMFA01030401
- SCHEMBL8710731
- KPGGPQIHJCHVLZ-BQYQJAHWSA-N
- (E)-docos-15-enoic acid
- CHEBI:180035
- C22:1n-7
-
- Inchi： 1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h7-8H,2-6,9-21H2,1H3,(H,23,24)/b8-7+
- InChI Key： KPGGPQIHJCHVLZ-BQYQJAHWSA-N
- SMILES： OC(CCCCCCCCCCCCC/C=C/CCCCCC)=O
Computed Properties
- Exact Mass: 338.31866
- Monoisotopic Mass: 338.318480578g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 19
- Complexity: 284
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
15-Docosenoic acid Related Literature
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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