Cas no 15909-18-9 (9,11,15-Octadecatrienoic acid, (9Z,11E,15Z)-)
15909-18-9 structure
Product Name:9,11,15-Octadecatrienoic acid, (9Z,11E,15Z)-
CAS No:15909-18-9
MF:C18H30O2
MW:278.429605960846
CID:1337680
PubChem ID:9925637
Update Time:2025-04-20
9,11,15-Octadecatrienoic acid, (9Z,11E,15Z)- Chemical and Physical Properties
Names and Identifiers
-
- 9,11,15-Octadecatrienoic acid, (9Z,11E,15Z)-
- octadeca-9Z,11E,15Z-trienoic acid
- C18:3n-3,7,9
- 15909-18-9
- 9Z,11E,15Z-octadecatrienoic acid
- (9Z,11E,15Z)-octadeca-9,11,15-trienoic acid
- Rumelenic acid
- LMFA02000299
- Q27121385
- CHEBI:48907
- SCHEMBL4845991
-
- Inchi: 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,7-10H,2,5-6,11-17H2,1H3,(H,19,20)/b4-3-,8-7+,10-9-
- InChI Key: WTMLOMJSCCOUNI-QQFSJYTNSA-N
- SMILES: OC(CCCCCCC/C=C\C=C\CC/C=C\CC)=O
Computed Properties
- Exact Mass: 278.2247
- Monoisotopic Mass: 278.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 13
- Complexity: 301
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
9,11,15-Octadecatrienoic acid, (9Z,11E,15Z)- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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