2-Cyclopenten-1-one,5-ethyl-2-hydroxy-3-methyl- (53263-58-4)

The 5-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one, with CAS registry number 53263-58-4, has the systematic name of 5-ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one. And its IUPAC name is the same one. Besides this, it is also called 2-Cyclopenten-1-one, 2-hydroxy-5-ethyl-3-methyl. What's more, its EINECS is 258-451-6.

Physical properties of 5-Ethyl-2-hydroxy-3-methylcyclopent-2-en-1-one: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 5.98; (6)ACD/BCF (pH 7.4): 5.89; (7)ACD/KOC (pH 5.5): 125.22; (8)ACD/KOC (pH 7.4): 123.38; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 38.41 cm³; (15)Molar Volume: 129 cm³; (16)Polarizability: 15.22×10^-24cm³; (17)Surface Tension: 38.3 dyne/cm; (18)Enthalpy of Vaporization: 57.86 kJ/mol; (19)Vapour Pressure: 0.00177 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(/O)=C(/C)CC1CC
(2)InChI: InChI=1/C8H12O2/c1-3-6-4-5(2)7(9)8(6)10/h6,9H,3-4H2,1-2H3
(3)InChIKey: ARHWUYVUNJLMRR-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H12O2/c1-3-6-4-5(2)7(9)8(6)10/h6,9H,3-4H2,1-2H3
(5)Std. InChIKey: ARHWUYVUNJLMRR-UHFFFAOYSA-N