1.02010-04-08 22:14:02 UTC2019-11-26 03:16:56 UTCFDB018948(1xi,4xi,6xi)-Carvone oxideIsolated from spearmint oil. (1xi,4xi,6xi)-Carvone oxide is found in herbs and spices.C10H14O2166.217166.0993796921-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptan-2-one1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptan-2-oneCC(=C)C1CC2OC2(C)C(=O)C1InChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3YGMNGQDLUQECTO-UHFFFAOYSA-N belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.OxepanesOrganic compoundsOrganoheterocyclic compoundsOxepanesAliphatic heteropolycyclic compoundsDialkyl ethersEpoxidesHydrocarbon derivativesKetonesOrganic oxidesOxacyclic compoundsAliphatic heteropolycyclic compoundCarbonyl groupDialkyl etherEtherHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacycleOxepaneOxiranelogp1.29logs-1.66solubility3.64e+00 g/llogp1.81pka_strongest_acidic18.84pka_strongest_basic-4.3iupac1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptan-2-oneaverage_mass166.217mono_mass166.099379692smilesCC(=C)C1CC2OC2(C)C(=O)C1formulaC10H14O2inchiInChI=1S/C10H14O2/c1-6(2)7-4-8(11)10(3)9(5-7)12-10/h7,9H,1,4-5H2,2-3H3inchikeyYGMNGQDLUQECTO-UHFFFAOYSA-Npolar_surface_area29.6refractivity45.78polarizability18.32rotatable_bond_count1acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs18410Specdb::CMs150128Specdb::NmrOneD32602Specdb::NmrOneD32603Specdb::NmrOneD32604Specdb::NmrOneD32605Specdb::NmrOneD32606Specdb::NmrOneD32607Specdb::NmrOneD32608Specdb::NmrOneD32609Specdb::NmrOneD32610Specdb::NmrOneD32611Specdb::NmrOneD32612Specdb::NmrOneD32613Specdb::NmrOneD32614Specdb::NmrOneD32615Specdb::NmrOneD32616Specdb::NmrOneD32617Specdb::NmrOneD32618Specdb::NmrOneD32619Specdb::NmrOneD32620Specdb::NmrOneD32621Specdb::MsMs44415Specdb::MsMs44416Specdb::MsMs44417Specdb::MsMs151821Specdb::MsMs151822Specdb::MsMs151823Specdb::MsMs2705846Specdb::MsMs2705847Specdb::MsMs2705848Specdb::MsMs3003568Specdb::MsMs3003569Specdb::MsMs3003570HMDB39382#<Reference:0x0000555675ed4010>Herbs and SpicesUnknowngeneric