CAS No.141336-97-2,CYCLOHEXANECARBONITRILE, 4-[[(1,1-DIMETHYLETHYL)DIPHENYLSILYL]OXY]- Suppliers

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Molecular Structure:
CAS No.:	141336-97-2
Name:	CYCLOHEXANECARBONITRILE, 4-[[(1,1-DIMETHYLETHYL)DIPHENYLSILYL]OXY]-
Article Data:	2

Formula:	C₂₃H₂₉NOSi
Molecular Weight:	363.575
Synonyms:	4-[(tert-Butyldiphenylsilyl)oxy]cyclohexanecarbonitrile;
Density:	1.04 g/cm³
Boiling Point:	451.7 °C at 760 mmHg
Flash Point:	227 °C
PSA:	33.02000
LogP:	4.64538

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Specification

The CAS register number of 4-[(tert-Butyldiphenylsilyl)oxy]cyclohexanecarbonitrile is 141336-97-2. It also can be called as Cyclohexanecarbonitrile,4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]- and the systematic name about this chemical is 4-{[tert-butyl(diphenyl)silyl]oxy}cyclohexanecarbonitrile. The molecular formula about this chemical is C₂₃H₂₉NOSi and molecular weight is 363.57.

Physical properties about 4-[(tert-Butyldiphenylsilyl)oxy]cyclohexanecarbonitrile are: (1)ACD/LogP: 6.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.98; (4)ACD/LogD (pH 7.4): 6.98; (5)ACD/BCF (pH 5.5): 118134.23; (6)ACD/BCF (pH 7.4): 118134.23; (7)ACD/KOC (pH 5.5): 148725.27; (8)ACD/KOC (pH 7.4): 148725.27; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 33.02Å²; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 110.75 cm³; (14)Molar Volume: 347.8 cm³; (15)Polarizability: 43.9x10^-24cm³; (16)Surface Tension: 39.2 dyne/cm; (17)Enthalpy of Vaporization: 71.08 kJ/mol; (18)Boiling Point: 451.7 °C at 760 mmHg; (19)Vapour Pressure: 2.39E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)[Si](OC1CCC(CC1)C#N)(c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C23H29NOSi/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-20-16-14-19(18-24)15-17-20/h4-13,19-20H,14-17H2,1-3H3
(3)InChIKey: FAXMLJQZLHERED-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C23H29NOSi/c1-23(2,3)26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)25-20-16-14-19(18-24)15-17-20/h4-13,19-20H,14-17H2,1-3H3
(5)Std. InChIKey: FAXMLJQZLHERED-UHFFFAOYSA-N