1.02010-04-08 22:04:43 UTC2019-11-26 02:55:26 UTCFDB0008111,8,8-Trimethyl-2-oxabicyclo[3.2.1]octan-3-one1,2-campholide is a member of the class of compounds known as lactones. Lactones are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. Thus, 1,2-campholide is considered to be an isoprenoid lipid molecule. 1,2-campholide is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1,2-campholide can be found in herbs and spices, which makes 1,2-campholide a potential biomarker for the consumption of this food product. 1,2-CampholideC10H16O2168.2328168.1150297561,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one1,2-campholide1126-91-6CC1(C)C2CCC1(C)OC(=O)C2InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3AXRMSBLBSHJLGO-UHFFFAOYSA-N belongs to the class of organic compounds known as lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.LactonesOrganic compoundsOrganoheterocyclic compoundsLactonesAliphatic heteropolycyclic compoundsCarbonyl compoundsCarboxylic acid estersDelta valerolactonesHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsOxanesOxepanesAliphatic heteropolycyclic compoundCaprolactoneCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDelta valerolactoneDelta_valerolactoneHydrocarbon derivativeLactoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacycleOxaneOxepaneBicyclic monoterpenoidsBicyclic monoterpenoidsdelta-lactonelogp2.70logs-2.21solubility1.04e+00 g/llogp1.94pka_strongest_basic-7.1iupac1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-oneaverage_mass168.2328mono_mass168.115029756smilesCC1(C)C2CCC1(C)OC(=O)C2formulaC10H16O2inchiInChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3inchikeyAXRMSBLBSHJLGO-UHFFFAOYSA-Npolar_surface_area26.3refractivity45.51polarizability18.52rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs25299Specdb::CMs154086Specdb::MsMs43761Specdb::MsMs43762Specdb::MsMs43763Specdb::MsMs131532Specdb::MsMs131533Specdb::MsMs131534Specdb::MsMs2448266Specdb::MsMs2448267Specdb::MsMs2448268Specdb::MsMs2518203Specdb::MsMs2518204Specdb::MsMs2518205Common sageType 1specificSalvia officinalis38868