1,1'-Biphenyl,4-ethyl-4'-(trans-4-propylcyclohexyl)- (84540-37-4)

The trans-4-Ethyl-4'-(4-propylcyclohexyl)-1,1'-biphenyl, with cas registry number of 84540-37-4, is also called trans-1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene which is its IUPAC name. And its EINECS registry number is 283-130-2. The chemical usually can be used as intermediates of liquid crystals.

The characteristics about this chemical are: (1)ACD/LogP: 9.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.04; (4)ACD/LogD (pH 7.4): 9.04; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1975166.63; (8)ACD/KOC (pH 7.4): 1975166.63; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 100.21 cm³; (15)Molar Volume: 322.8 cm³; (16)Polarizability: 39.72×10^-24cm³; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 0.949 g/cm³; (19)Flash Point: 236.3 °C; (20)Enthalpy of Vaporization: 65.53 kJ/mol; (21)Boiling Point: 426.8 °C at 760 mmHg; (22)Vapour Pressure: 4.27E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1c2ccc(cc2)C3CCC(CCC)CC3)CC
(2)InChI: InChI=1/C23H30/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h6-7,10-11,14-17,19,21H,3-5,8-9,12-13H2,1-2H3
(3)InChIKey: DOALOUQODWWGEZ-UHFFFAOYAF