3-Butyn-2-one,4-(dimethylphenylsilyl)- (263914-93-8)

The systematic name of 4-(Dimethylphenylsilyl)-3-butyn-2-one is 4-[Dimethyl(phenyl)silyl]but-3-yn-2-one. With the CAS registry number 263914-93-8, it is also named as 3-Butyn-2-one,4-(dimethylphenylsilyl)-. In addition, its molecular formula is C₁₂H₁₄OSi and its molecular weight is 202.32. 

The other characteristics of 4-(Dimethylphenylsilyl)-3-butyn-2-one can be summarized as: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.07; (4)ACD/LogD (pH 7.4): 4.07; (5)ACD/BCF (pH 5.5): 729.05; (6)ACD/BCF (pH 7.4): 729.05; (7)ACD/KOC (pH 5.5): 3897.29; (8)ACD/KOC (pH 7.4): 3897.29; (9)H bond acceptors: 1; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 61.41 cm³; (15)Molar Volume: 204.7 cm³; (16)Polarizability: 24.34×10^-24cm³; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 0.98 g/cm³; (19)Flash Point: 105.7 °C; (20)Enthalpy of Vaporization: 48.85 kJ/mol; (21)Boiling Point: 251.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0207 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(C#C[Si](c1ccccc1)(C)C)C
(2)InChI:InChI=1/C12H14OSi/c1-11(13)9-10-14(2,3)12-7-5-4-6-8-12/h4-8H,1-3H3
(3)InChIKey:LSMMMVXQGJUMSO-UHFFFAOYAP
(4)Std. InChI:InChI=1S/C12H14OSi/c1-11(13)9-10-14(2,3)12-7-5-4-6-8-12/h4-8H,1-3H3
(5)Std. InChIKey:LSMMMVXQGJUMSO-UHFFFAOYSA-N