2-(1-Adamantyl)propan-2-ol (775-64-4)

The 2-(1-Adamantyl)propan-2-ol, with the cas registry number 775-64-4, is also called 2-(1-Adamantyl)-2-propanol. The molecular formula of the chemical is C₁₃H₂₂O. While you are dealing with this chemical, be cautious not to contact with skin and eyes.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 9.23 Å²; (7)Index of Refraction: 1.543; (8)Molar Refractivity: 57.22 cm³; (9)Molar Volume: 181.4 cm³; (10)Polarizability: 22.68×10^-24cm³; (11)Surface Tension: 43.3 dyne/cm; (12)Density: 1.07 g/cm³; (13)Flash Point: 127.9 °C; (14)Enthalpy of Vaporization: 59.75 kJ/mol; (15)Boiling Point: 276.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000606 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(C)(C)C13CC2CC(CC(C1)C2)C3
(2)InChI: InChI=1/C13H22O/c1-12(2,14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,14H,3-8H2,1-2H3
(3)InChIKey: WBKAUEBLTWRERU-UHFFFAOYAJ