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68479-61-8

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Basic Information
CAS No.: 68479-61-8
Name: (S)-N-TRIETHOXYSILYLPROPYL-O-MENTHOCARBAMATE
Molecular Structure:
Molecular Structure of 68479-61-8 ((S)-N-TRIETHOXYSILYLPROPYL-O-MENTHOCARBAMATE)
Formula: C20H41NO5Si
Molecular Weight: 403.6287
Synonyms: 2-Isopropyl-5-methylcyclohexyl [3-(triethoxysilyl)propyl]carbamate;
EINECS: 270-863-8
Density: 0.99 g/cm3
Boiling Point: 444 °C at 760 mmHg
Flash Point: 222.3 °C
PSA: 66.02000
LogP: 5.00280
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Specification

The Menthyl N-(3-triethoxysilylpropyl)carbamate, with the CAS registry number of 68479-61-8, is also known as 2-Isopropyl-5-methylcyclohexyl [3-(triethoxysilyl)propyl]carbamate. Its molecular formula is C20H41NO5Si and molecular weight is 403.628740. What's more, its IUPAC name is (5-Methyl-2-propan-2-ylcyclohexyl) N-(3-triethoxysilylpropyl)carbamate.

Physical properties about the Menthyl N-(3-triethoxysilylpropyl)carbamate are: (1)ACD/LogP: 5.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.85; (4)ACD/LogD (pH 7.4): 5.85; (5)ACD/BCF (pH 5.5): 16399.44; (6)ACD/BCF (pH 7.4): 16399.35; (7)ACD/KOC (pH 5.5): 36187.77; (8)ACD/KOC (pH 7.4): 36187.57; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 57.23 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 112 cm3; (15)Molar Volume: 405.4 cm3; (16)Surface Tension: 32.5 dyne/cm; (17)Density: 0.99 g/cm3; (18)Flash Point: 222.3 °C; (19)Enthalpy of Vaporization: 70.18 kJ/mol; (20)Boiling Point: 444 °C at 760 mmHg; (21)Vapour Pressure: 4.43E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC1CC(CCC1C(C)C)C)NCCC[Si](OCC)(OCC)OCC
(2) InChI: InChI=1/C20H41NO5Si/c1-7-23-27(24-8-2,25-9-3)14-10-13-21-20(22)26-19-15-17(6)11-12-18(19)16(4)5/h16-19H,7-15H2,1-6H3,(H,21,22)
(3) InChIKey: RZTQENQVQRHAHZ-UHFFFAOYAS