1,3-Dioxane,2-(3-iodopropyl)-5,5-dimethyl- (331818-83-8)

The 2-(3-Iodopropyl)-5,5-dimethyl-1,3-dioxane is an organic compound with the formula C₉H₁₇IO₂. With the CAS registry number 331818-83-8, the systematic name of this chemical is 1,3-dioxane, 2-(3-iodopropyl)-5,5-dimethyl-.

Physical properties about this chemical are: (1)ACD/LogP: 2.59; (2)ACD/LogD (pH 5.5): 2.59; (3)ACD/LogD (pH 7.4): 2.59; (4)ACD/BCF (pH 5.5): 54.59; (5)ACD/BCF (pH 7.4): 54.59; (6)ACD/KOC (pH 5.5): 609.61; (7)ACD/KOC (pH 7.4): 609.61; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 18.46 Å²; (11)Index of Refraction: 1.491; (12)Molar Refractivity: 57.9 cm³; (13)Molar Volume: 199.8 cm³; (14)Polarizability: 22.95×10^-24cm³; (15)Surface Tension: 36.2 dyne/cm; (16)Density: 1.421 g/cm³; (17)Flash Point: 121.9 °C; (18)Enthalpy of Vaporization: 49.58 kJ/mol; (19)Boiling Point: 278 °C at 760 mmHg; (20)Vapour Pressure: 0.00739 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(COC(OC1)CCCI)C
(2)InChI: InChI=1/C9H17IO2/c1-9(2)6-11-8(12-7-9)4-3-5-10/h8H,3-7H2,1-2H3
(3)InChIKey: BYRUDXTUKOCUCQ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H17IO2/c1-9(2)6-11-8(12-7-9)4-3-5-10/h8H,3-7H2,1-2H3
(5)Std. InChIKey: BYRUDXTUKOCUCQ-UHFFFAOYSA-N