Acetic acid,2-(trimethylsilyl)-, 1,1-dimethylethyl ester CAS NO.41108-81-0

The Acetic acid,2-(trimethylsilyl)-, 1,1-dimethylethyl ester, with the CAS registry number 41108-81-0, is also known as 1,1-Dimethylethyl trimethylsilylacetate. It belongs to the product categories of C8 to C9; Carbonyl Compounds; Esters. Its EINECS number is 255-222-2. This chemical's molecular formula is C₉H₂₀O₂Si and molecular weight is 188.34. What's more, its systematic name is tert-butyl (trimethylsilyl)acetate. 

Physical properties of Acetic acid,2-(trimethylsilyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.95; (5)ACD/BCF (pH 5.5): 103.66; (6)ACD/BCF (pH 7.4): 103.66; (7)ACD/KOC (pH 5.5): 964.7; (8)ACD/KOC (pH 7.4): 964.7; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.415; (14)Molar Refractivity: 54.2 cm³; (15)Molar Volume: 216.3 cm³; (16)Polarizability: 21.48×10^-24 cm³; (17)Surface Tension: 22.1 dyne/cm; (18)Density: 0.87 g/cm³; (19)Flash Point: 54.2 °C; (20)Enthalpy of Vaporization: 41.34 kJ/mol; (21)Boiling Point: 177 °C at 760 mmHg; (22)Vapour Pressure: 1.06 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,1-dimethylethyl trimethylsilylacetate and (3S,5S)-3,5-diacetoxy-cyclohexan-1-one at the temperature of -70 °C. This reaction will need reagent LDA and solvent tetrahydrofuran with the reaction time of 2 hours. The yield is about 77%.

When you are using this chemical, please be cautious about it as the following:
It is flammable. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). What's more, you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OC(C)(C)C)C[Si](C)(C)C
(2)InChI: InChI=1/C9H20O2Si/c1-9(2,3)11-8(10)7-12(4,5)6/h7H2,1-6H3
(3)InChIKey: HOHBQWITMXOSOW-UHFFFAOYAC

The Acetic acid,2-(trimethylsilyl)-, 1,1-dimethylethyl ester, with the CAS registry number 41108-81-0, is also known as 1,1-Dimethylethyl trimethylsilylacetate. It belongs to the product categories of C8 to C9; Carbonyl Compounds; Esters. Its EINECS number is 255-222-2. This chemical's molecular formula is C₉H₂₀O₂Si and molecular weight is 188.34. What's more, its systematic name is tert-butyl (trimethylsilyl)acetate. 

Physical properties of Acetic acid,2-(trimethylsilyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.95; (5)ACD/BCF (pH 5.5): 103.66; (6)ACD/BCF (pH 7.4): 103.66; (7)ACD/KOC (pH 5.5): 964.7; (8)ACD/KOC (pH 7.4): 964.7; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.415; (14)Molar Refractivity: 54.2 cm³; (15)Molar Volume: 216.3 cm³; (16)Polarizability: 21.48×10^-24 cm³; (17)Surface Tension: 22.1 dyne/cm; (18)Density: 0.87 g/cm³; (19)Flash Point: 54.2 °C; (20)Enthalpy of Vaporization: 41.34 kJ/mol; (21)Boiling Point: 177 °C at 760 mmHg; (22)Vapour Pressure: 1.06 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,1-dimethylethyl trimethylsilylacetate and (3S,5S)-3,5-diacetoxy-cyclohexan-1-one at the temperature of -70 °C. This reaction will need reagent LDA and solvent tetrahydrofuran with the reaction time of 2 hours. The yield is about 77%.

When you are using this chemical, please be cautious about it as the following:
It is flammable. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). What's more, you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OC(C)(C)C)C[Si](C)(C)C
(2)InChI: InChI=1/C9H20O2Si/c1-9(2,3)11-8(10)7-12(4,5)6/h7H2,1-6H3
(3)InChIKey: HOHBQWITMXOSOW-UHFFFAOYAC