775-64-4 2-(1-Adamantyl)-2-propanol 2-(Adamant-1-yl)propan-2-ol
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
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
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