Spirodiclofen

The IUPAC name of Spirodiclofen is [2-(2,4-dichlorophenyl)-3-oxo-4-oxaspiro[4.5]dec-1-en-1-yl]2,2-dimethylbutanoate. With the CAS registry number 148477-71-8, it is also named as Butanoic acid, 2,2-dimethyl-,3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl ester. This chemical should be stored at 0-6 °C. In addition, its molecular formula is C₂₁H₂₄Cl₂O₄ and molecular weight is 411.32.

The other characteristics of Spirodiclofen can be summarized as: (1)ACD/LogP: 6.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.36; (4)ACD/LogD (pH 7.4): 6.36; (5)ACD/BCF (pH 5.5): 40123.76; (6)ACD/BCF (pH 7.4): 40123.76; (7)ACD/KOC (pH 5.5): 68659.09; (8)ACD/KOC (pH 7.4): 68659.09; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 104.96 cm³; (15)Molar Volume: 319.6 cm³; (16)Polarizability: 41.61×10^-24cm³; (17)Surface Tension: 48.5 dyne/cm; (18)Enthalpy of Vaporization: 83.02 kJ/mol ; (19)Vapour Pressure: 3.73E-12 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: this chemical may cause sensitization by skin contact. It is possible risk of harm to the unborn child. And it is harmful that may cause lung damage if swallowed. Moreover, its vapours may cause drowsiness and dizziness. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing and gloves. If swallowed, please do not induce vomitting; seek medical advice immediately and show this container or label. 

People can use the following data to convert to the molecule structure.
(1)SMILES: Clc3ccc(C/1=C(\OC(=O)C(C)(C)CC)C2(OC\1=O)CCCCC2)c(Cl)c3
(2)InChI: InChI=1/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3
(3)InChIKey: DTDSAWVUFPGDMX-UHFFFAOYAX