Cas no 4755-89-9 (1-(3-ethyl-5,5,6,8,8-pentamethyl-tetralin-2-yl)ethanone)
4755-89-9 structure
Product Name:1-(3-ethyl-5,5,6,8,8-pentamethyl-tetralin-2-yl)ethanone
1-(3-ethyl-5,5,6,8,8-pentamethyl-tetralin-2-yl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-ethyl-5,5,6,8,8-pentamethyl-tetralin-2-yl)ethanone
- 1-(3-ethyl-5,5,6,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethanone
- 1,1,3,4,4-Pentamethyl-6-aethyl-7-acetyl-tetralin
- NSC17430
- NSC-17430
- 4755-89-9
- SCHEMBL8853596
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- Inchi： 1S/C19H28O/c1-8-14-9-17-16(10-15(14)13(3)20)18(4,5)11-12(2)19(17,6)7/h9-10,12H,8,11H2,1-7H3
- InChI Key： LMPKSOXFUSKMGB-UHFFFAOYSA-N
- SMILES： O=C(C)C1C(CC)=CC2=C(C=1)C(C)(C)CC(C)C2(C)C
Computed Properties
- Exact Mass: 272.21400
- Monoisotopic Mass: 272.214016
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 379
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1
- XLogP3: 5.8
Experimental Properties
- Density: 0.915
- Boiling Point: 371°Cat760mmHg
- Flash Point: 156.1°C
- Refractive Index: 1.489
- PSA: 17.07000
- LogP: 5.04660
1-(3-ethyl-5,5,6,8,8-pentamethyl-tetralin-2-yl)ethanone Related Literature
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
4755-89-9 (1-(3-ethyl-5,5,6,8,8-pentamethyl-tetralin-2-yl)ethanone) Related Products
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