1.02010-04-08 22:11:32 UTC2019-11-26 03:10:53 UTCFDB014900PulegenoneFound in citronella and peppermint oils5-Methyl-2-(1-methylethyl)-2-cyclopenten-1-one, 9CIPulegenoneC9H14O138.2069138.104465075-methyl-2-(propan-2-yl)cyclopent-2-en-1-one2-isopropyl-5-methylcyclopent-2-en-1-one5587-79-1CC(C)C1=CCC(C)C1=OInChI=1S/C9H14O/c1-6(2)8-5-4-7(3)9(8)10/h5-7H,4H2,1-3H3JSIJNCSVIGPGDV-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.Cyclic ketonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic homomonocyclic compoundsHydrocarbon derivativesOrganic oxidesAliphatic homomonocyclic compoundCyclic ketoneHydrocarbon derivativeOrganic oxidelogp2.55logs-1.54solubility3.94e+00 g/llogp2.71pka_strongest_basic-4.9iupac5-methyl-2-(propan-2-yl)cyclopent-2-en-1-oneaverage_mass138.2069mono_mass138.10446507smilesCC(C)C1=CCC(C)C1=OformulaC9H14OinchiInChI=1S/C9H14O/c1-6(2)8-5-4-7(3)9(8)10/h5-7H,4H2,1-3H3inchikeyJSIJNCSVIGPGDV-UHFFFAOYSA-Npolar_surface_area17.07refractivity42.82polarizability16.37rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs14573Specdb::CMs135290Specdb::CMs143024Specdb::MsIr7075Specdb::MsIr7076Specdb::NmrOneD133438Specdb::NmrOneD133439Specdb::NmrOneD133440Specdb::NmrOneD133441Specdb::NmrOneD133442Specdb::NmrOneD133443Specdb::NmrOneD133444Specdb::NmrOneD133445Specdb::NmrOneD133446Specdb::NmrOneD133447Specdb::NmrOneD133448Specdb::NmrOneD133449Specdb::NmrOneD133450Specdb::NmrOneD133451Specdb::NmrOneD133452Specdb::NmrOneD133453Specdb::NmrOneD133454Specdb::NmrOneD133455Specdb::NmrOneD133456Specdb::NmrOneD133457Specdb::MsMs65538Specdb::MsMs65539Specdb::MsMs65540Specdb::MsMs122952Specdb::MsMs122953Specdb::MsMs122954Specdb::MsMs2691428Specdb::MsMs2691429Specdb::MsMs2691430Specdb::MsMs2991011Specdb::MsMs2991012Specdb::MsMs2991013HMDB36069#<Reference:0x0000555674d84378>Herbs and SpicesUnknowngeneric