Spirodiclofen (148477-71-8)

The Spirodiclofen with the cas number 148477-71-8 is also called Butanoic acid, 2,2-dimethyl-,3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl ester. The IUPAC name is [2-(2,4-dichlorophenyl)-3-oxo-4-oxaspiro[4.5]dec-1-en-1-yl]2,2-dimethylbutanoate. Its molecular formula is C₂₁H₂₄Cl₂O₄. This chemical should be stored at 0-6°C.

The properties of the chemical are: (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: 3.73×10^-12 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical may cause sensitization by skin contact. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing and gloves.

You can still convert the following datas into molecular 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