2-ETHYLIDENECYCLOHEXANONE

The Cyclohexanone, 2-ethenyl-, with the CAS registry number of 1122-24-3, is also known as 2-Ethenylcyclohexanone. This chemical's molecular formula is C₈H₁₂O and molecular weight is 124.18028. What's more, its IUPAC name is 2-Ethenylcyclohexan-1-one.

Physical properties about Cyclohexanone, 2-ethenyl- are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 8.29; (6)ACD/BCF (pH 7.4): 8.29; (7)ACD/KOC (pH 5.5): 158.2; (8)ACD/KOC (pH 7.4): 158.2; (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: 1.556; (14)Molar Refractivity: 38.68 cm³; (15)Molar Volume: 120.1 cm³; (16)Surface Tension: 44.2 dyne/cm; (17)Density: 1.033 g/cm³; (18)Flash Point: 75.2 °C; (19)Enthalpy of Vaporization: 44.14 kJ/mol; (20)Boiling Point: 205.2 °C at 760 mmHg; (21)Vapour Pressure: 0.254 mmHg at 25 °C.

Preparation: this chemical is prepared by 2-Ethylidene-cyclohexanol at ambient temperature. The reaction needs reagent Periodinane and solvent CH₂Cl₂. The yield is about 62 %.

Uses of Cyclohexanone, 2-ethenyl-: it is used to produce other chemicals. For example, it is used to produce 2-[1-(5-Isopropyl-furan-2-yl)-ethyl]-cyclohexanone. Meanwhile, it needs solvents 96 % H₂SO₄ and Hydroquinone. The reaction time is 4.5 hours with reaction temperature of 40-50 °C. The yield is about 43 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C(=C/C)CCCC1
(2) InChI: InChI=1/C8H12O/c1-2-7-5-3-4-6-8(7)9/h2H,3-6H2,1H3/b7-2-
(3) InChIKey: YPRIHWWNQRSAQL-UQCOIBPSBE