The Diethyl cyclopentylmalonate with the cas number 18928-91-1 is also called Cyclopentanemalonicacid, diethyl ester (6CI,7CI,8CI). The IUPAC name is diethyl 2-cyclopentylpropanedioate. Its molecular formula is C12H20O4.
The properties of the chemical are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.464; (8)Molar Refractivity: 59 cm3; (9)Molar Volume: 213.8 cm3; (10)Polarizability: 23.39×10-24cm3; (11)Surface Tension: 37.2 dyne/cm ; (12)Enthalpy of Vaporization: 51.65 kJ/mol ; (13)Vapour Pressure: 0.00441 mmHg at 25°C.
Preparation: This chemical can be prepared by the reaction of malonic acid diethyl ester and bromocyclopentane. This reaction needs reagent sodium ethylate and ethanol.
Uses: This chemical can prepare Cyclopentylmalonsaeure-monoethylester. This reaction needs reagent KOH and solvent ethanol . The reaction time is 24 hours. The yield is 68%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C(=O)OCC)C1CCCC1
(2)InChI: InChI=1/C12H20O4/c1-3-15-11(13)10(12(14)16-4-2)9-7-5-6-8-9/h9-10H,3-8H2,1-2H3
(3)InChIKey: WXPOKLNJWFXXQO-UHFFFAOYAB
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