1,1-Dimethoxynonane

The 1,1-Dimethoxynonane, with the CAS registry number of 18824-63-0, is also known as Nonanal dimethyl acetal. Its EINECS registry number is 242-603-3. This chemical's molecular formula is C₁₁H₂₄O₂ and molecular weight is 188.31. What's more, its IUPAC name is 1,1-Dimethoxynonane.

Physical properties about the 1,1-Dimethoxynonane are: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 456.27; (6)ACD/BCF (pH 7.4): 456.27; (7)ACD/KOC (pH 5.5): 2786.59; (8)ACD/KOC (pH 7.4): 2786.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 56.45 cm³; (15)Molar Volume: 223.2 cm³; (16)Surface Tension: 26.5 dyne/cm; (17)Density: 0.843 g/cm³; (18)Flash Point: 55.3 °C; (19)Enthalpy of Vaporization: 43.18 kJ/mol; (20)Boiling Point: 213.8 °C at 760 mmHg; (21)Vapour Pressure: 0.235 mmHg at 25 °C.

Preparation: this chemical is prepared by reacti on of Methanol with Nonanal. The reaction needs reagents TiCl₄, NH₃ and solvent CH₂Cl₂. The reaction temperature is 0 °C. The yield is about 95 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Methoxy-decanenitrile. This reaction needs reagent Trimethylsilyl trifluoromethanesulfonate. Meanwhile, it needs solvent CH₂Cl₂. The reaction time is 20 min with reaction temperature of -78 °C. The yield is about 90 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O(C)C(OC)CCCCCCCC
(2) InChI: InChI=1/C11H24O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-10H2,1-3H3
(3) InChIKey: LYLVOCPDQAOQKL-UHFFFAOYAZ