Cas no 51439-05-5 (2-Tetradecanone, 1-phenyl-)
2-Tetradecanone, 1-phenyl- structure
Product Name:2-Tetradecanone, 1-phenyl-
CAS No:51439-05-5
MF:C20H32O
MW:288.467486381531
CID:1575070
PubChem ID:12759870
Update Time:2025-04-21
2-Tetradecanone, 1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Tetradecanone, 1-phenyl-
- 1-phenyltetradecan-2-one
- AKOS012718585
- 51439-05-5
- DTXSID80509182
- SCHEMBL7038549
-
- Inchi： 1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-14-17-20(21)18-19-15-12-11-13-16-19/h11-13,15-16H,2-10,14,17-18H2,1H3
- InChI Key： BFYNSXPJCGTQIP-UHFFFAOYSA-N
- SMILES： O=C(CC1C=CC=CC=1)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 288.24546
- Monoisotopic Mass: 288.245315640g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 13
- Complexity: 240
- 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: 7.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Tetradecanone, 1-phenyl- 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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
51439-05-5 (2-Tetradecanone, 1-phenyl-) Related Products
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