1,3-Dioxolane,2-(2-phenylethenyl)- (5660-60-6)

The Cinncloval, with the cas registry number 5660-60-6 and EINECS registry number 227-110-3, has the systematic name and IUPAC name of 2-[(E)-2-phenylethenyl]-1,3-dioxolane. The molecular formula of the chemical is C₁₁H₁₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 10.93; (6)ACD/BCF (pH 7.4): 10.93; (7)ACD/KOC (pH 5.5): 192.82; (8)ACD/KOC (pH 7.4): 192.82; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 54.29 cm³; (15)Molar Volume: 148.9 cm³; (16)Polarizability: 21.52×10^-24cm³; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.183 g/cm³; (19)Flash Point: 119.6 °C; (20)Enthalpy of Vaporization: 48.45 kJ/mol; (21)Boiling Point: 266.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0139 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1C(OCC1)\C=C\c2ccccc2
(2)InChI: InChI=1/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+
(3)InChIKey: JQLASNFFJHGQTK-VOTSOKGWBE