Cas no 54594-42-2 (2(1H)-Naphthalenone,octahydro-4a-methyl-7-(1-methylethyl)-, (4aa,7b,8ab)- (9CI))
54594-42-2 structure
Product Name:2(1H)-Naphthalenone,octahydro-4a-methyl-7-(1-methylethyl)-, (4aa,7b,8ab)- (9CI)
2(1H)-Naphthalenone,octahydro-4a-methyl-7-(1-methylethyl)-, (4aa,7b,8ab)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Naphthalenone,octahydro-4a-methyl-7-(1-methylethyl)-, (4aa,7b,8ab)- (9CI)
- 7-Isopropyl-4a-methyloctahydro-2(1H)-naphthalenone
- 4a-methyl-7-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
- 4a-methyl-7-propan-2-yl-decalin-2-one
- SFCYLKIUQMBSEF-UHFFFAOYSA-N
- 2(1H)-Naphthalenone, octahydro-4a-methyl-7-(1-methylethyl)-, (4a.alpha.,7.beta.,8a.beta.)-
- 2(1H)-Naphthalenone, octahydro-4a-methyl-7-(1-methylethyl)-. (4aalpha,7beta,8abeta)-
- 4a-methyl-7-(propan-2-yl)octahydronaphthalen-2(1H)-one
- DTXSID50969850
- 54594-42-2
- 7-Isopropyl-4a-methyloctahydro-2(1H)-naphthalenone #
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- Inchi： 1S/C14H24O/c1-10(2)11-4-6-14(3)7-5-13(15)9-12(14)8-11/h10-12H,4-9H2,1-3H3
- InChI Key： SFCYLKIUQMBSEF-UHFFFAOYSA-N
- SMILES： O=C1CCC2(C)CCC(C(C)C)CC2C1
Computed Properties
- Exact Mass: 208.18282
- Monoisotopic Mass: 208.182715385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 256
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2(1H)-Naphthalenone,octahydro-4a-methyl-7-(1-methylethyl)-, (4aa,7b,8ab)- (9CI) Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
54594-42-2 (2(1H)-Naphthalenone,octahydro-4a-methyl-7-(1-methylethyl)-, (4aa,7b,8ab)- (9CI)) Related Products
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