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203738-69-6

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Basic Information
CAS No.: 203738-69-6
Name: tert-Butyl 2-(tert-butyldimethylsilyloxy)ethylcarbamate
Article Data: 11
Molecular Structure:
Molecular Structure of 203738-69-6 (tert-Butyl 2-(tert-butyldimethylsilyloxy)ethylcarbamate)
Formula: C13H29NO3Si
Molecular Weight: 275.464
Synonyms: TERT-BUTYL 2-(TERT-BUTYLDIMETHYLSILYLOXY)ETHYLCARBAMATE
Density: 0.925
Boiling Point: 312.909 °C at 760 mmHg
Flash Point: 143.042 °C
PSA: 47.56000
LogP: 3.92380
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Specification

The tert-Butyl 2-(tert-butyldimethylsilyloxy)ethylcarbamate, with the cas registry number 203738-69-6, has the systematic name of tert-butyl (2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)carbamate. And the molecular formula of the chemical is C13H29NO3Si.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 710; (6)ACD/BCF (pH 7.4): 710; (7)ACD/KOC (pH 5.5): 3824; (8)ACD/KOC (pH 7.4): 3824; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 47.56 Å2; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 78.04 cm3; (15)Molar Volume: 297.617 cm3; (16)Polarizability: 30.937×10-24cm3; (17)Surface Tension: 25.847 dyne/cm; (18)Density: 0.926 g/cm3; (19)Flash Point: 143.042 °C; (20)Enthalpy of Vaporization: 55.394 kJ/mol; (21)Boiling Point: 312.909 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCCO[Si](C(C)(C)C)(C)C
(2)InChI: InChI=1/C13H29NO3Si/c1-12(2,3)17-11(15)14-9-10-16-18(7,8)13(4,5)6/h9-10H2,1-8H3,(H,14,15)
(3)InChIKey: ONLZZERSZRZSOX-UHFFFAOYAA