4-methyl-2-octyl-1,3-dioxolane (68391-39-9)

The Nonanal propyleneglycol acetal with the cas number 68391-39-9 is also called 1,3-Dioxolane,4-methyl-2-octyl-. Both the systematic name and IUPAC name are 4-methyl-2-octyl-1,3-dioxolane. Its EINECS registry number is 269-947-7. The molecular formula is C₁₂H₂₄O₂.

The properties of the chemical are: (1)ACD/LogP: 3.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.98; (4)ACD/LogD (pH 7.4): 3.98; (5)ACD/BCF (pH 5.5): 621.89; (6)ACD/BCF (pH 7.4): 621.89; (7)ACD/KOC (pH 5.5): 3478.12; (8)ACD/KOC (pH 7.4): 3478.12; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.431; (14)Molar Refractivity: 58.87 cm³; (15)Molar Volume: 227.4 cm³; (16)Polarizability: 23.34×10^-24cm³; (17)Surface Tension: 29.8 dyne/cm; (18)Enthalpy of Vaporization: 46.01 kJ/mol; (19)Vapour Pressure: 0.0526 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1C(COC1CCCCCCCC)C
(2)InChI: InChI=1/C12H24O2/c1-3-4-5-6-7-8-9-12-13-10-11(2)14-12/h11-12H,3-10H2,1-2H3
(3)InChIKey: AGNUIQKIUPCFET-UHFFFAOYAJ