Benzoic acid,4-(4-pentylcyclohexyl)-, 4-ethoxyphenyl ester, trans- (9CI) (95973-51-6)

The cas register number of 4-Ethoxyphenyl 4-trans-(4-pentylcyclohexyl)benzoate is 95973-51-6. It also can be called as Benzoic acid,4-(4-pentylcyclohexyl)-, 4-ethoxyphenyl ester, trans- (9CI) and the Systematic name about this chemical is (4-ethoxyphenyl) 4-(4-pentylcyclohexyl)benzoate. This chemical can be used as intermediates of liquid crystals.

Physical properties about 4-Ethoxyphenyl 4-trans-(4-pentylcyclohexyl)benzoate are: (1)ACD/LogP: 8.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.962; (4)ACD/LogD (pH 7.4): 8.962; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1788265; (8)ACD/KOC (pH 7.4): 1788265; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 118.296 cm³; (14)Molar Volume: 381.656 cm³; (15)Polarizability: 46.896x10^-24cm³; (16)Surface Tension: 38.543 dyne/cm; (17)Enthalpy of Vaporization: 79.528 kJ/mol; (18)Boiling Point: 521.949 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCC[C@H]1CC[C@@H](CC1)c2ccc(cc2)C(=O)Oc3ccc(cc3)OCC
(2)InChI: InChI=1/C26H34O3/c1-3-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)26(27)29-25-18-16-24(17-19-25)28-4-2/h12-21H,3-11H2,1-2H3/t20-,21-
(3)InChIKey: BOJBRLBJBXWHNZ-MEMLXQNLBG
(4)Std. InChI: InChI=1S/C26H34O3/c1-3-5-6-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)26(27)29-25-18-16-24(17-19-25)28-4-2/h12-21H,3-11H2,1-2H3/t20-,21-
(5)Std. InChIKey: BOJBRLBJBXWHNZ-MEMLXQNLSA-N