Bis(2,3-epoxypropyl) cyclohex-4-ene-1,2-dicarboxylate (21544-03-6)

The Bis(2,3-epoxypropyl) cyclohex-4-ene-1,2-dicarboxylate with cas number 21544-03-6 is also called 4-Cyclohexene-1,2-dicarboxylicacid, 1,2-bis(2-oxiranylmethyl) ester. Both the systematic name and IUPAC name are bis(oxiran-2-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate. Its EINECS registry number is 244-435-6. The molecular formula is C₁₄H₁₈O₆.

The properties of the chemical are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.32; (6)ACD/BCF (pH 7.4): 7.32; (7)ACD/KOC (pH 5.5): 144.69; (8)ACD/KOC (pH 7.4): 144.69; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 77.66 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 66.85 cm³; (15)Molar Volume: 215.5 cm³; (16)Polarizability: 26.5×10^-24cm³; (17)Surface Tension: 50 dyne/cm ; (18)Enthalpy of Vaporization: 66.64 kJ/mol; (19)Vapour Pressure: 4.73×10^-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC1OC1)C3C\C=C/CC3C(=O)OCC2OC2
(2)InChI: InChI=1/C14H18O6/c15-13(19-7-9-5-17-9)11-3-1-2-4-12(11)14(16)20-8-10-6-18-10/h1-2,9-12H,3-8H2
(3)InChIKey: KTPIWUHKYIJBCR-UHFFFAOYAV