1-Methoxy-4-methylbicyclo[2.2.2]octane

The Bicyclo[2.2.2]octane,1-methoxy-4-methyl-, with the CAS registry number 6555-95-9, is also known as 1-Methoxy-4-methylbicyclo[2.2.2]octane. This chemical's molecular formula is C₁₀H₁₈O and molecular weight is 154.2493. What's more, its IUPAC name is 4-Methoxy-1-methylbicyclo[2.2.2]octane.

Physical properties about Bicyclo[2.2.2]octane,1-methoxy-4-methyl- are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 88.18; (6)ACD/BCF (pH 7.4): 88.18; (7)ACD/KOC (pH 5.5): 859.2; (8)ACD/KOC (pH 7.4): 859.2; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 46.01 cm³; (15)Molar Volume: 163.5 cm³; (16)Polarizability: 18.24×10^-24 cm³; (17)Surface Tension: 30.5 dyne/cm; (18)Density: 0.94 g/cm³; (19)Flash Point: 52.8 °C; (20)Enthalpy of Vaporization: 39.73 kJ/mol; (21)Boiling Point: 178 °C at 760 mmHg; (22)Vapour Pressure: 1.37 mmHg at 25 °C.

Preparation of Bicyclo[2.2.2]octane,1-methoxy-4-methyl-: this chemical can be prepared by 1-Methyl-4-methoxy-bicyclo[2.2.2]octan-2-on. This reaction needs reagents N₂H₄*H₂O, KOH and solvent bis-(2-Hydroxy-ethyl) ether.

Use of Bicyclo[2.2.2]octane,1-methoxy-4-methyl-: it is used to produce other chemicals. For example, it is used to produce 1-Chloro-4-methylbicyclo[2.2.2]octane. The reaction occurs with reagents Polyphosphoric Acid, NaCl and other condition of heating for 60 min. The yield is 79 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O(C)C12CCC(CC1)(CC2)C
(2) InChI: InChI=1/C10H18O/c1-9-3-6-10(11-2,7-4-9)8-5-9/h3-8H2,1-2H3
(3) InChIKey: NXGYBOISDZEYCB-UHFFFAOYAF