2,6-Dioxaspiro[3.3]heptane

The 2,6-Dioxaspiro[3.3]heptane, with the CAS registry number 174-79-8, has the systematic name and IUPAC name of 2,6-dioxaspiro[3.3]heptane. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₅H₈O₂.

The characteristics of 2,6-Dioxaspiro[3.3]heptane are as followings: (1)ACD/LogP: -0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.25; (4)ACD/LogD (pH 7.4): -0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.43; (8)ACD/KOC (pH 7.4): 17.43; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 24.59 cm³; (15)Molar Volume: 86.5 cm³; (16)Polarizability: 9.75×10^-24cm³; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 19.6 °C; (20)Enthalpy of Vaporization: 33.27 kJ/mol; (21)Boiling Point: 108.3 °C at 760 mmHg; (22)Vapour Pressure: 30.5 mmHg at 25°C.  

Uses of 2,6-Dioxaspiro[3.3]heptane: It can react with tert-butyl hydroperoxide to produce 3-tert.-Butylperoxymethyl-3-hydroxymethyl-oxetan and 2,2-bis-tert-butylperoxymethyl-propane-1,3-diol. This reaction will need reagent Al₂O₃, and the menstruum various solvent(s). The reaction time is 240 hours, and the yield is about 5%. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O1CC2(C1)COC2
(2)InChI: InChI=1/C5H8O2/c1-5(2-6-1)3-7-4-5/h1-4H2
(3)InChIKey: XQLZHIBLSSHZAL-UHFFFAOYAY

The toxicity data is as follows: