The Bis(trimethylsilyl)itaconate, with the CAS registry number 55494-04-7, is also known as Butanedioic acid, methylene-, bis(trimethylsilyl) ester. This chemical's molecular formula is C11H22O4Si2 and molecular weight is 274.46. What's more, its systematic name is bis(trimethylsilyl) 2-methylidenebutanedioate.
Physical properties of Bis(trimethylsilyl)itaconate are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 249.19; (6)ACD/BCF (pH 7.4): 249.19; (7)ACD/KOC (pH 5.5): 1807.35; (8)ACD/KOC (pH 7.4): 1807.35; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 73.56 cm3; (15)Molar Volume: 283.4 cm3; (16)Polarizability: 29.16×10-24cm3; (17)Surface Tension: 23.3 dyne/cm; (18)Density: 0.968 g/cm3; (19)Flash Point: 91.4 °C; (20)Enthalpy of Vaporization: 49.57 kJ/mol; (21)Boiling Point: 258.1 °C at 760 mmHg; (22)Vapour Pressure: 0.014 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[Si](C)(C)C)CC(=C)\C(=O)O[Si](C)(C)C
(2)Std. InChI: InChI=1S/C11H22O4Si2/c1-9(11(13)15-17(5,6)7)8-10(12)14-16(2,3)4/h1,8H2,2-7H3
(3)Std. InChIKey: IYEWOPPVIQNFQO-UHFFFAOYSA-N
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