4-Cyanophenyl 4'-trans-ethylcyclohexylcarboxylate (149890-38-0)

The 4-Cyanophenyl 4'-trans-ethylcyclohexylcarboxylate, with CAS registry number 149890-38-0, has the systematic name of (4-cyanophenyl) 4-ethylcyclohexanecarboxylate. And the chemical formula of this chemical is C₁₆H₁₈NO₂. Its molecular weight is 256.32.

Physical properties of 4-Cyanophenyl 4'-trans-ethylcyclohexylcarboxylate: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.261; (4)ACD/LogD (pH 7.4): 4.261; (5)ACD/BCF (pH 5.5): 1019.077; (6)ACD/BCF (pH 7.4): 1019.077; (7)ACD/KOC (pH 5.5): 4953.071; (8)ACD/KOC (pH 7.4): 4953.071; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 72.763 cm³; (15)Molar Volume: 233.128 cm³; (16)Polarizability: 28.845×10^-24cm³; (17)Surface Tension: 45.009 dyne/cm; (18)Enthalpy of Vaporization: 64.07 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC[C@H]1CC[C@@H](CC1)C(=O)Oc2ccc(cc2)C#N
(2)InChI: InChI=1/C16H19NO2/c1-2-12-3-7-14(8-4-12)16(18)19-15-9-5-13(11-17)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3/t12-,14-
(3)InChIKey: NTTNYGMLOVNUEY-MQMHXKEQBL
(4)Std. InChI: InChI=1S/C16H19NO2/c1-2-12-3-7-14(8-4-12)16(18)19-15-9-5-13(11-17)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3/t12-,14-
(5)Std. InChIKey: NTTNYGMLOVNUEY-MQMHXKEQSA-N