The 2-(Trimethylsilyloxy)propene, with CAS registry number 1833-53-0, belongs to the following product categories: (1)Monoalkoxysilanes; (2)Si (Classes of Silicon Compounds); (3)Silicon Compounds (for Synthesis); (4)Si-O Compounds; (5)Synthetic Organic Chemistry; (6)Vinylsilanes, Allylsilanes. It has the systematic name of trimethyl(prop-1-en-2-yloxy)silane. This chemical is a kind of clear colorless liquid. And it should be stored at the temperature of −20°C.
Physical properties of 2-(Trimethylsilyloxy)propene: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.122; (4)ACD/LogD (pH 7.4): 2.122; (5)ACD/BCF (pH 5.5): 24.147; (6)ACD/BCF (pH 7.4): 24.147; (7)ACD/KOC (pH 5.5): 339.998; (8)ACD/KOC (pH 7.4): 339.998; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.4; (14)Molar Refractivity: 39.877 cm3; (15)Molar Volume: 164.57 cm3; (16)Polarizability: 15.808×10-24cm3; (17)Surface Tension: 17.145 dyne/cm; (18)Enthalpy of Vaporization: 31.896 kJ/mol; (19)Vapour Pressure: 57.372 mmHg at 25°C.
Preparation: this chemical can be prepared by propan-2-one and chloro-trimethyl-silane. This reaction will need reagent Et3N.
When you are using this chemical, please be cautious about it as the following:
The 2-(Trimethylsilyloxy)propene irritates to eyes, respiratory system and skin. And this chemical is flammable, so keep it away from sources of ignition. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=C)O[Si](C)(C)C
(2)InChI: InChI=1/C6H14OSi/c1-6(2)7-8(3,4)5/h1H2,2-5H3
(3)InChIKey: UAIFZYSPVVBOPN-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H14OSi/c1-6(2)7-8(3,4)5/h1H2,2-5H3
(5)Std. InChIKey: UAIFZYSPVVBOPN-UHFFFAOYSA-N
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