Cyclohexanecarboxylicacid, 4-ethyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester, trans- (67284-56-4)

The trans-4'-Cyano[1,1'-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate is an organic compound with the formula C₂₂H₂₃NO₂. The IUPAC name of this chemical is [4-(4-cyanophenyl)phenyl] 4-ethylcyclohexane-1-carboxylate. With the CAS registry number 67284-56-4, it is also named as 4'-Cyanobiphenyl-4-yl 4-ethylcyclohexanecarboxylate.

Physical properties about trans-4'-Cyano[1,1'-biphenyl]-4-yl 4-ethylcyclohexanecarboxylate are: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/LogD (pH 7.4): 5.97; (5)ACD/BCF (pH 5.5): 20121.81; (6)ACD/BCF (pH 7.4): 20121.81; (7)ACD/KOC (pH 5.5): 41893.91; (8)ACD/KOC (pH 7.4): 41893.91; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 50.09 Å²; (12)Index of Refraction: 1.582; (13)Molar Refractivity: 97.46 cm³; (14)Molar Volume: 291.8 cm³; (15)Polarizability: 38.63×10^-24cm³; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.14 g/cm³; (18)Flash Point: 245.9 °C; (19)Enthalpy of Vaporization: 75.61 kJ/mol; (20)Boiling Point: 489.7 °C at 760 mmHg; (21)Vapour Pressure: 9.72E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1)c3ccc(OC(=O)C2CCC(CC)CC2)cc3
(2)InChI: InChI=1/C22H23NO2/c1-2-16-3-9-20(10-4-16)22(24)25-21-13-11-19(12-14-21)18-7-5-17(15-23)6-8-18/h5-8,11-14,16,20H,2-4,9-10H2,1H3
(3)InChIKey: OYZITXKNUGHHKV-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C22H23NO2/c1-2-16-3-9-20(10-4-16)22(24)25-21-13-11-19(12-14-21)18-7-5-17(15-23)6-8-18/h5-8,11-14,16,20H,2-4,9-10H2,1H3
(5)Std. InChIKey: OYZITXKNUGHHKV-UHFFFAOYSA-N