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141629-19-8

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Basic Information
CAS No.: 141629-19-8
Name: (4S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-pyrrolidinone
Article Data: 11
Molecular Structure:
Molecular Structure of 141629-19-8 ((4S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-pyrrolidinone)
Formula: C10H21NO2Si
Molecular Weight: 215.368
Synonyms: 2-Pyrrolidinone,4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (S)-;(4S)-4-[(tert-Butyldimethylsilyl)oxy]-2-pyrrolidinone;
Density: 0.965g/cm3
Boiling Point: 289.999 °C at 760 mmHg
Flash Point: 129.187 °C
PSA: 38.33000
LogP: 2.22550
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Specification

The (4S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-pyrrolidinone with cas registry number of 141629-19-8, belongs to the following product categories: (1)Pyrrolidinone derivatives; (2)Drug Intermediates. It has the systematic name of (4S)-4-{[tert-butyl(dimethyl)silyl]oxy}pyrrolidin-2-one.

Physical properties about this chemical are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 85; (8)ACD/KOC (pH 7.4): 85; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.33 Å2; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 60.548 cm3; (15)Molar Volume: 223.091 cm3; (16)Polarizability: 24.003×10-24cm3; (17)Surface Tension: 27.105 dyne/cm; (18)Enthalpy of Vaporization: 52.934 kJ/mol; (19)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: CC(C)(C)[Si](C)(C)OC1CC(=O)NC1;
(2)InChI: InChI=1/C10H21NO2Si/c1-10(2,3)14(4,5)13-8-6-9(12)11-7-8/h8H,6-7H2,1-5H3,(H,11,12)/t8-/m0/s1;
(3)InChIKey: BEVGOGJIDJYUNN-QMMMGPOBBD;
(4)Std. InChI: InChI=1S/C10H21NO2Si/c1-10(2,3)14(4,5)13-8-6-9(12)11-7-8/h8H,6-7H2,1-5H3,(H,11,12)/t8-/m0/s1;
(5)Std. InChIKey: BEVGOGJIDJYUNN-QMMMGPOBSA-N