Ethanone,1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)- (54464-57-2)

The 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone with its cas register number is 54464-57-2. It also can be called as Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)- and the IUPAC Name about this chemical is 1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone. It belongs to the All Aliphatics and Aliphatics. This chemical can be used for synthetic woody odorantand it also can be used as scent in perfumes, laundry products and cosmetics.

Physical properties about 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone are: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.28; (4)ACD/LogD (pH 7.4): 5.28; (5)ACD/BCF (pH 5.5): 6116.94; (6)ACD/BCF (pH 7.4): 6116.94; (7)ACD/KOC (pH 5.5): 17864.6; (8)ACD/KOC (pH 7.4): 17864.6; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.07Ų; (12)Index of Refraction: 1.493; (13)Molar Refractivity: 71.6 cm³; (14)Molar Volume: 246.3 cm³; (15)Polarizability: 28.38x10^-24cm³; (16)Surface Tension: 32.4 dyne/cm; (17)Enthalpy of Vaporization: 55.31 kJ/mol; (18)Vapour Pressure: 0.000538 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C
(2)InChI: InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3
(3)InChIKey: FVUGZKDGWGKCFE-UHFFFAOYSA-N