Cas no 4755-86-6 (1-(6-ethyl-1,1,2,3,3-pentamethyl-2h-inden-5-yl)ethanone)
4755-86-6 structure
Product Name:1-(6-ethyl-1,1,2,3,3-pentamethyl-2h-inden-5-yl)ethanone
1-(6-ethyl-1,1,2,3,3-pentamethyl-2h-inden-5-yl)ethanone Chemical and Physical Properties
Names and Identifiers
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- 1-(6-ethyl-1,1,2,3,3-pentamethyl-2h-inden-5-yl)ethanone
- NSC16835
- NSC-16835
- 4755-86-6
- DTXSID90969536
- 1-(6-Ethyl-1,1,2,3,3-pentamethyl-2,3-dihydro-1H-inden-5-yl)ethan-1-one
- SCHEMBL8851439
-
- Inchi： 1S/C18H26O/c1-8-13-9-15-16(10-14(13)11(2)19)18(6,7)12(3)17(15,4)5/h9-10,12H,8H2,1-7H3
- InChI Key： CHWCIEYEHJWZHW-UHFFFAOYSA-N
- SMILES： O=C(C)C1C(CC)=CC2=C(C=1)C(C)(C)C(C)C2(C)C
Computed Properties
- Exact Mass: 258.19848
- Monoisotopic Mass: 258.198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 366
- 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
- XLogP3: 5.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.923
- Boiling Point: 351.4°C at 760 mmHg
- Flash Point: 147.1°C
- Refractive Index: 1.493
- PSA: 17.07
- LogP: 4.65650
1-(6-ethyl-1,1,2,3,3-pentamethyl-2h-inden-5-yl)ethanone Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
4755-86-6 (1-(6-ethyl-1,1,2,3,3-pentamethyl-2h-inden-5-yl)ethanone) Related Products
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