1.0 2010-04-08 22:11:30 UTC 2015-07-20 23:11:52 UTC FDB014844 Octahydro-6-isopropyl-2(1H)-naphthalenone Fragrance ingredient with a grapefruit-like aroma 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)- 6-Isopropyl-2-decalone 6-Isopropyl-2(1H)-octahydronaphthalenone 6-Isopropyl-3,4,4a,5,6,7,8,8a-octahydro-2(1H)-naphthalenone 6-Isopropyldecalone Decatone Octahydro-6-(1-methylethyl)-2(1H)-naphthalenone Octahydro-6-(1-methylethyl)-2(1H)-naphthalenone, 9CI C13H22O 194.3132 194.167065326 6-(propan-2-yl)-decahydronaphthalen-2-one 6-isopropyl-octahydro-1H-naphthalen-2-one 34131-98-1 CC(C)C1CCC2CC(=O)CCC2C1 InChI=1S/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3 HEKJOMVJRYMUDB-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 ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homopolycyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Cyclic ketone Hydrocarbon derivative Organic oxide logp 3.57 ALOGPS logs -4.50 ALOGPS solubility 6.20e-03 g/l ALOGPS logp 3.51 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 6-(propan-2-yl)-decahydronaphthalen-2-one ChemAxon average_mass 194.3132 ChemAxon mono_mass 194.167065326 ChemAxon smiles CC(C)C1CCC2CC(=O)CCC2C1 ChemAxon formula C13H22O ChemAxon inchi InChI=1S/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3 ChemAxon inchikey HEKJOMVJRYMUDB-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 58.44 ChemAxon polarizability 24.08 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24127 Specdb::CMs 134626 Specdb::CMs 142360 Specdb::MsMs 103362 Specdb::MsMs 103363 Specdb::MsMs 103364 Specdb::MsMs 169389 Specdb::MsMs 169390 Specdb::MsMs 169391 Specdb::MsMs 2451595 Specdb::MsMs 2451596 Specdb::MsMs 2451597 Specdb::MsMs 2487936 Specdb::MsMs 2487937 Specdb::MsMs 2487938 HMDB36026 #<Reference:0x000055ce32120b50> gardenia grapefruit green rhubarb vetiver woody