1.02011-09-26 22:54:14 UTC2015-07-21 07:00:15 UTCFDB0296811-octen-3-hydroperoxideFlavouring compound [Flavornet]C8H16O2144.214144.115029755oct-1-ene-3-peroxoloct-1-ene-3-peroxol72755-76-1CCCCCC(OO)C=CInChI=1S/C8H16O2/c1-3-5-6-7-8(4-2)10-9/h4,8-9H,2-3,5-7H2,1H3CHGORMNWCVRPCH-UHFFFAOYSA-N belongs to the class of organic compounds known as allylic hydroperoxides. These are organooxygen compounds containing a hydroperoxide group substituted with an allyl group. They have the general formula RCH=CR'CH2OSO2CF3.Allylic hydroperoxidesOrganic compoundsOrganic oxygen compoundsOrganic hydroperoxidesAllylic hydroperoxidesAliphatic acyclic compoundsAlkyl hydroperoxidesHydrocarbon derivativesPeroxolsAliphatic acyclic compoundAlkyl hydroperoxideAllylic hydroperoxideHydrocarbon derivativeOrganooxygen compoundPeroxollogp2.87logs-1.99solubility1.47e+00 g/llogp2.93pka_strongest_acidic11.71pka_strongest_basic-4.2iupacoct-1-ene-3-peroxolaverage_mass144.214mono_mass144.115029755smilesCCCCCC(OO)C=CformulaC8H16O2inchiInChI=1S/C8H16O2/c1-3-5-6-7-8(4-2)10-9/h4,8-9H,2-3,5-7H2,1H3inchikeyCHGORMNWCVRPCH-UHFFFAOYSA-Npolar_surface_area29.46refractivity41.52polarizability17.2rotatable_bond_count6acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::MsMs1304083Specdb::MsMs1304084Specdb::MsMs1304085Specdb::MsMs1418638Specdb::MsMs1418639Specdb::MsMs1418640Specdb::MsMs3607165Specdb::MsMs3607166Specdb::MsMs3607167Specdb::MsMs3608302Specdb::MsMs3608303Specdb::MsMs3608304metalmushroom