p-cyanophenyl trans-4-pentylcyclohexanecarboxylate (62439-35-4)

This chemical is called P-Cyanophenyl trans-4-pentylcyclohexanecarboxylate, and its IPUAC name is (4-cyanophenyl) 4-pentylcyclohexane-1-carboxylate. In addition, its CAS number is 62439-35-4, and the molecular formula is C₁₉H₂₅NO₂. It is often used as intermediates of liquid crystals.

Other characteristics can be summarised as followings: (1)ACD/LogP:  6.02; (2)# of Rule of 5 Violations:  1; (3)ACD/LogD (pH 5.5):  6.02; (4)ACD/LogD (pH 7.4):  6.02; (5)ACD/BCF (pH 5.5):  21986.54; (6)ACD/BCF (pH 7.4):  21986.54; (7)ACD/KOC (pH 5.5):  44637.68; (8)ACD/KOC (pH 7.4):  44637.68; (9)#H bond acceptors:  3; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  7; (12)Polar Surface Area:  50.09 Ų; (13)Index of Refraction:  1.527; (14)Molar Refractivity:  86.65 cm³; (15)Molar Volume:  281.8 cm³; (16)Polarizability:  34.35×10^-24 cm³; (17)Surface Tension:  43.5 dyne/cm; (18)Density:  1.06 g/cm³; (19)Flash Point:  212.3 °C; (20)Enthalpy of Vaporization:  68.58 kJ/mol; (21)Boiling Point:  430.4 °C at 760 mmHg; (22)Vapour Pressure:  1.3E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1)OC(=O)[C@H]2CC[C@H](CCCCC)CC2
(2)InChI: InChI=1/C19H25NO2/c1-2-3-4-5-15-6-10-17(11-7-15)19(21)22-18-12-8-16(14-20)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3/t15-,17-
(3)InChIKey: JRNQQLWJXYJSRU-JCNLHEQBBH
(4)Std. InChI: InChI=1S/C19H25NO2/c1-2-3-4-5-15-6-10-17(11-7-15)19(21)22-18-12-8-16(14-20)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3/t15-,17-
(5)Std. InChIKey: JRNQQLWJXYJSRU-JCNLHEQBSA-N