The trans-3-(Trimethylsilyl)allyl alcohol, with the CAS registry number 59376-64-6, has the systematic name of (2E)-3-(trimethylsilyl)prop-2-en-1-ol. It should be stored in sealed containers, and should keep dry and cool at the same time. And the molecular formula of the chemical is C6H14OSi.
The characteristics of trans-3-(Trimethylsilyl)allyl alcohol are as followings: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.433; (8)Molar Refractivity: 40.15 cm3; (9)Molar Volume: 154.4 cm3; (10)Polarizability: 15.91×10-24cm3; (11)Surface Tension: 21.8 dyne/cm; (12)Density: 0.843 g/cm3; (13)Flash Point: 63.3 °C; (14)Enthalpy of Vaporization: 46.98 kJ/mol; (15)Boiling Point: 167 °C at 760 mmHg; (16)Vapour Pressure: 0.574 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC/C=C/[Si](C)(C)C
(2)InChI: InChI=1/C6H14OSi/c1-8(2,3)6-4-5-7/h4,6-7H,5H2,1-3H3/b6-4+
(3)InChIKey: BRTBTJVSPJZQIT-GQCTYLIABX
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