Propane,1,1,1-trimethoxy-2-methyl- (52698-46-1)

The 1,1,1-Trimethoxy-2-methylpropane with the CAS number 52698-46-1 is also called Propane,1,1,1-trimethoxy-2-methyl-. Its molecular formula is C₇H₁₆O₃. The product category is Orthoesters. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 1,1,1-Trimethoxy-2-methylpropane are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.26; (6)ACD/BCF (pH 7.4): 13.26; (7)ACD/KOC (pH 5.5): 221.39; (8)ACD/KOC (pH 7.4): 221.39; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.399; (14)Molar Refractivity: 39.63 cm³; (15)Molar Volume: 163.5 cm³; (16)Polarizability: 15.71×10^-24cm³; (17)Surface Tension: 24 dyne/cm; (18)Enthalpy of Vaporization: 34.77 kJ/mol; (19)Vapour Pressure: 15.1 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C(OC)(OC)C(C)C
(2)InChI: InChI=1/C7H16O3/c1-6(2)7(8-3,9-4)10-5/h6H,1-5H3
(3)InChIKey: BGLARIMANCDMQX-UHFFFAOYAF