1.02010-04-08 22:11:23 UTC2019-11-26 03:10:31 UTCFDB014639(-)-IsomenthoneIsolated from oils of Mentha arvensis, Mentha pulegium, Hedeoma pulegioides and others. (-)-Isomenthone is found in cornmint, spearmint, and herbs and spices.(-)-Isomenthone(1S,4S)-(-)-p-Menthan-3-one(1S,4S)-p-Menthan-3-one(2S-cis)-5-Methyl-2-(1-methylethyl)cyclohexanone(2S,5S)-2-Isopropyl-5-methylcyclohexanoneL-IsomenthoneC10H18O154.2493154.135765198(2S,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one(-)-isomenthone1196-31-2CC(C)[C@@H]1CC[C@H](C)CC1=OInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1NFLGAXVYCFJBMK-IUCAKERBSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.Menthane monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic homomonocyclic compoundsCyclic ketonesHydrocarbon derivativesMonocyclic monoterpenoidsOrganic oxidesAliphatic homomonocyclic compoundCarbonyl groupCyclic ketoneHydrocarbon derivativeKetoneMonocyclic monoterpenoidOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-menthane monoterpenoidMenthane monoterpenoidsisomenthonelogp2.65logs-2.77solubility2.65e-01 g/llogp3.05pka_strongest_basic-7.4iupac(2S,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-oneaverage_mass154.2493mono_mass154.135765198smilesCC(C)[C@@H]1CC[C@H](C)CC1=OformulaC10H18OinchiInChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1inchikeyNFLGAXVYCFJBMK-IUCAKERBSA-Npolar_surface_area17.07refractivity46.52polarizability18.67rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs16139Specdb::CMs155718Specdb::MsIr6747Specdb::MsIr6748Specdb::MsMs88707Specdb::MsMs88708Specdb::MsMs88709Specdb::MsMs151494Specdb::MsMs151495Specdb::MsMs151496Specdb::MsMs2685153Specdb::MsMs2685154Specdb::MsMs2685155Specdb::MsMs3023178Specdb::MsMs3023179Specdb::MsMs3023180HMDB3497236496#<Reference:0x0000555674d92a18>CornmintType 1specificMentha arvensis292239Herbs and SpicesUnknowngenericSpearmintType 1specificMentha spicata29719minty