Carbonic acid,1-(3,5-dimethoxyphenyl)-1-methylethyl phenyl ester (39507-97-6)

The 1-(3,5-Dimethoxyphenyl)-1-methylethyl phenyl carbonate, with the CAS registry number 39507-97-6, has the systematic name of 2-(3,5-dimethoxyphenyl)propan-2-yl phenyl carbonate. It is a kind of organics, and should be stored at dry and cool environment. The molecular formula of the chemical is C₁₈H₂₀O₅.

The characteristics of 1-(3,5-Dimethoxyphenyl)-1-methylethyl phenyl carbonate are as followings: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/LogD (pH 7.4): 3.68; (5)ACD/BCF (pH 5.5): 366.75; (6)ACD/BCF (pH 7.4): 366.75; (7)ACD/KOC (pH 5.5): 2383.3; (8)ACD/KOC (pH 7.4): 2383.3; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 86.02 cm³; (15)Molar Volume: 276 cm³; (16)Polarizability: 34.1×10^-24cm³; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.146 g/cm³; (19)Flash Point: 192.8 °C; (20)Enthalpy of Vaporization: 69.66 kJ/mol; (21)Boiling Point: 439.6 °C at 760 mmHg; (22)Vapour Pressure: 6.29E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Oc1ccccc1)OC(c2cc(OC)cc(OC)c2)(C)C
(2)InChI: InChI=1/C18H20O5/c1-18(2,13-10-15(20-3)12-16(11-13)21-4)23-17(19)22-14-8-6-5-7-9-14/h5-12H,1-4H3
(3)InChIKey: SWALYNJQIGGEAW-UHFFFAOYAQ