Cyclohexaneacetic acid,methyl ester (14352-61-5)

The Methyl cyclohexylacetate, with cas registry number 14352-61-5, has the systematic name of methyl cyclohexylacetate. And its IUPAC name is methyl 2-cyclohexylacetate. And the chemical formula of this chemical is C₉H₁₆O₂. What's more, its refractive index is 1.446.

Physical properties about this chemical are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 74.75; (6)ACD/BCF (pH 7.4): 74.75; (7)ACD/KOC (pH 5.5): 763.4; (8)ACD/KOC (pH 7.4): 763.4; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 43.4 cm³; (15)Molar Volume: 164 cm³; (16)Polarizability: 17.2×10^-24cm³; (17)Surface Tension: 31.6 dyne/cm; (18)Enthalpy of Vaporization: 43.72 kJ/mol; (19)Vapour Pressure: 0.315 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-cyclohexyl-1-trimethylsilanyl-ethanone. This reaction will need reagent Et₄NOTs and  solvent methanol. The yield is about 96%.

Uses of Methyl cyclohexylacetate: it can be used to produce cyclohexyl-acetic acid hydrazide. This reaction will need reagent NH₂NH₂*H₂O and solvent methanol. The reaction time is 6 hour(s). The yield is about 45%.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(OC)CC1CCCCC1
(2)InChI: InChI=1/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
(3)InChIKey: IMXBRVLCKXGWSS-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
(5)Std. InChIKey: IMXBRVLCKXGWSS-UHFFFAOYSA-N