2-CYCLOPENTYLCYCLOPENTANONE

The CAS register number of [1,1'-Bicyclopentyl]-2-one is 4884-24-6. It also can be called as [1,1'-Bicyclopentan]-2-one and the IUPAC name about this chemical is 2-cyclopentylcyclopentan-1-one. The molecular formula about this chemical is C₁₀H₁₆O and the molecular weight is 152.23.

Physical properties about [1,1'-Bicyclopentyl]-2-one are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): 2.19; (3)ACD/LogD (pH 7.4): 2.19; (4)ACD/BCF (pH 5.5): 26.96; (5)ACD/BCF (pH 7.4): 26.96; (6)ACD/KOC (pH 5.5): 367.94; (7)ACD/KOC (pH 7.4): 367.94; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.512; (12)Molar Refractivity: 44.29 cm³; (13)Molar Volume: 147.5 cm³; (14)Polarizability: 17.55x10^-24cm³; (15)Surface Tension: 40.6 dyne/cm; (16)Density: 1.031 g/cm³; (17)Flash Point: 90.3 °C; (18)Enthalpy of Vaporization: 46.92 kJ/mol; (19)Boiling Point: 232.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0588 mmHg at 25 °C.

Preparation: this chemical can be prepared by cyclopentanone and cyclopentene. This reaction will need reagent of t-BuOOH. The reaction temperature is 170 - 180 °C. This reaction needs pressure of 13501.07 - 15001.2. The yield is about 67%.

Uses of [1,1'-Bicyclopentyl]-2-one: it can be used to produce 6-cyclopentyl-tetrahydro-pyran-2-one. This reaction will need reagent of m-ClPhCO₃H and solvent of CHCl₃. This reaction needs Baeyer-Villiger oxidation. The reaction temperature is 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCC1C2CCCC2
(2)InChI: InChI=1/C10H16O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h8-9H,1-7H2
(3)InChIKey: CWZGKTMWPFTJCS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H16O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h8-9H,1-7H2
(5)Std. InChIKey: CWZGKTMWPFTJCS-UHFFFAOYSA-N