Cas no 13435-77-3 (9,12-Tetradecadienoic acid, 14-(3-ethyloxiranyl)-)
13435-77-3 structure
Product Name:9,12-Tetradecadienoic acid, 14-(3-ethyloxiranyl)-
CAS No:13435-77-3
MF:C18H30O3
MW:294.429006099701
CID:96719
PubChem ID:53882399
Update Time:2025-04-18
9,12-Tetradecadienoic acid, 14-(3-ethyloxiranyl)- Chemical and Physical Properties
Names and Identifiers
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- 9,12-Tetradecadienoic acid, 14-(3-ethyloxiranyl)-
- 14-(3-ethyloxiran-2-yl)tetradeca-9,12-dienoic acid
- 13435-77-3
- DTXSID70707372
- 15,16-epoxyoctadeca-9,12-dienoic acid
-
- Inchi： 1S/C18H30O3/c1-2-16-17(21-16)14-12-10-8-6-4-3-5-7-9-11-13-15-18(19)20/h4,6,10,12,16-17H,2-3,5,7-9,11,13-15H2,1H3,(H,19,20)
- InChI Key： HKSDVVJONLXYKL-UHFFFAOYSA-N
- SMILES： O1C(CC=CCC=CCCCCCCCC(=O)O)C1CC
Computed Properties
- Exact Mass: 294.2196
- Monoisotopic Mass: 294.219
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 13
- Complexity: 333
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 5.1
- Topological Polar Surface Area: 49.8?2
Experimental Properties
- PSA: 49.83
9,12-Tetradecadienoic acid, 14-(3-ethyloxiranyl)- Related Literature
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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