3-Methoxy-2-cyclopenten-1-one (4683-50-5)

The 3-Methoxy-2-cyclopenten-1-one with the cas number 4683-50-5 is also called 2-cyclopenten-1-one, 3-methoxy-. Both the systematic name and IUPAC name are 3-methoxycyclopent-2-en-1-one. Its molecular formula is C₆H₈O₂. This chemical belongs to the following product categories: (1)C3 to C6; (2)Carbonyl Compounds; (3)Ketones.

The properties of the chemical are: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.04; (4)ACD/LogD (pH 7.4): -0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.56; (8)ACD/KOC (pH 7.4): 22.56; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 29.31 cm³; (15)Molar Volume: 105.6 cm³; (16)Polarizability: 11.62×10^-24cm³; (17)Surface Tension: 31.3 dyne/cm; (18)Enthalpy of Vaporization: 45.12 kJ/mol ; (19)Vapour Pressure: 0.152 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C(\OC)CC1
(2)InChI: InChI=1/C6H8O2/c1-8-6-3-2-5(7)4-6/h4H,2-3H2,1H3
(3)InChIKey: DTWCFCILAJVNPE-UHFFFAOYAL