2-Cyclopenten-1-one,4,4-dimethyl- (22748-16-9)

The 4,4-Dimethyl-2-cyclopenten-1-one, with CAS registry number 22748-16-9, belongs to the following product categories: (1)C7 to C8; (2)Carbonyl Compounds; (3)Ketones. Its systematic name and its IUPAC name are the same, which is 4,4-dimethylcyclopent-2-en-1-one. This chemical should be stored in cool, dry place. This chemical is flammable. When use it, please keep away from sources of ignition.

Physical properties of 4,4-Dimethyl-2-cyclopenten-1-one: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 3.27; (6)ACD/BCF (pH 7.4): 3.27; (7)ACD/KOC (pH 5.5): 81.31; (8)ACD/KOC (pH 7.4): 81.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 32.11 cm³; (15)Molar Volume: 116.9 cm³; (16)Polarizability: 12.73×10^-24cm³; (17)Surface Tension: 28.3 dyne/cm; (18)Enthalpy of Vaporization: 39.18 kJ/mol; (19)Vapour Pressure: 3.09 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,2-dimethyl-4-oxo-pentanal. This reaction will need reagent aq. KOH.

Uses of 4,4-Dimethyl-2-cyclopenten-1-one: it can be used to produce 4,4-dimethyl-2-cyclopentenol. This reaction will need reagent LiAlH_4.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C/C(C)(C)C1
(2)InChI: InChI=1/C7H10O/c1-7(2)4-3-6(8)5-7/h3-4H,5H2,1-2H3
(3)InChIKey: YVFVCSCZJJGBAK-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H10O/c1-7(2)4-3-6(8)5-7/h3-4H,5H2,1-2H3
(5)Std. InChIKey: YVFVCSCZJJGBAK-UHFFFAOYSA-N