3,5-Dimethyl-1-adamantanol

The 3,5-Dimethyl-1-adamantanol, with the CAS registry number 707-37-9, is also known as 1-Hydroxy-3,5-dimethyladamantane. It belongs to the product categories of Adamantane derivatives; Adamantanes; Impurities; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₁₂H₂₀O and molecular weight is 180.29. What's more, its systematic name is 3,5-Dimethyl-1-adamantanol. This chemical is an impurity of Memantine.

Physical properties of 3,5-Dimethyl-1-adamantanol are: (1)ACD/LogP: 2.786; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.15; (6)ACD/BCF (pH 7.4): 77.15; (7)ACD/KOC (pH 5.5): 780.86; (8)ACD/KOC (pH 7.4): 780.86; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 52.932 cm³; (15)Molar Volume: 160.693 cm³; (16)Polarizability: 20.984×10^-24cm³; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.122 g/cm³; (19)Flash Point: 101.766 °C; (20)Enthalpy of Vaporization: 56.274 kJ/mol; (21)Boiling Point: 247.166 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC12CC3(CC(C1)(CC(C2)C3)C)C
(2)Std. InChI: InChI=1S/C12H20O/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9,13H,3-8H2,1-2H3
(3)Std. InChIKey: LBWCITVBZLTEKW-UHFFFAOYSA-N