Benzoic acid,4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]- (153559-46-7)

The 4-[(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoic acid, with CAS registry number 153559-46-7, has the systematic name of 4-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]benzoic acid. And it is also called Benzoic acid, 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]-.

Physical properties about this chemical are: (1)ACD/LogP: 7.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 5254; (6)ACD/BCF (pH 7.4): 272; (7)ACD/KOC (pH 5.5): 5107; (8)ACD/KOC (pH 7.4): 265; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.37 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 103.23 cm³; (15)Molar Volume: 320.011 cm³; (16)Polarizability: 40.923×10^-24cm³; (17)Surface Tension: 42.909 dyne/cm; (18)Enthalpy of Vaporization: 79.841 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(O)c1ccc(cc1)C(=O)c2c(cc3c(c2)C(CCC3(C)C)(C)C)C
(2)InChI: InChI=1/C23H26O3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24)15-6-8-16(9-7-15)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)
(3)InChIKey: QADGBOQVBUXZKO-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C23H26O3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24)15-6-8-16(9-7-15)21(25)26/h6-9,12-13H,10-11H2,1-5H3,(H,25,26)
(5)Std. InChIKey: QADGBOQVBUXZKO-UHFFFAOYSA-N