1.02010-04-08 22:11:30 UTC2015-07-20 23:11:52 UTCFDB014844Octahydro-6-isopropyl-2(1H)-naphthalenoneFragrance ingredient with a grapefruit-like aroma2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-6-Isopropyl-2-decalone6-Isopropyl-2(1H)-octahydronaphthalenone6-Isopropyl-3,4,4a,5,6,7,8,8a-octahydro-2(1H)-naphthalenone6-IsopropyldecaloneDecatoneOctahydro-6-(1-methylethyl)-2(1H)-naphthalenoneOctahydro-6-(1-methylethyl)-2(1H)-naphthalenone, 9CIC13H22O194.3132194.1670653266-(propan-2-yl)-decahydronaphthalen-2-one6-isopropyl-octahydro-1H-naphthalen-2-one34131-98-1CC(C)C1CCC2CC(=O)CCC2C1InChI=1S/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3HEKJOMVJRYMUDB-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 homopolycyclic compoundsHydrocarbon derivativesOrganic oxidesAliphatic homopolycyclic compoundCyclic ketoneHydrocarbon derivativeOrganic oxidelogp3.57logs-4.50solubility6.20e-03 g/llogp3.51pka_strongest_basic-7.4iupac6-(propan-2-yl)-decahydronaphthalen-2-oneaverage_mass194.3132mono_mass194.167065326smilesCC(C)C1CCC2CC(=O)CCC2C1formulaC13H22OinchiInChI=1S/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3inchikeyHEKJOMVJRYMUDB-UHFFFAOYSA-Npolar_surface_area17.07refractivity58.44polarizability24.08rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs24127Specdb::CMs134626Specdb::CMs142360Specdb::MsMs103362Specdb::MsMs103363Specdb::MsMs103364Specdb::MsMs169389Specdb::MsMs169390Specdb::MsMs169391Specdb::MsMs2451595Specdb::MsMs2451596Specdb::MsMs2451597Specdb::MsMs2487936Specdb::MsMs2487937Specdb::MsMs2487938HMDB36026#<Reference:0x0000555674526438>gardeniagrapefruitgreenrhubarbvetiverwoody