1.0 2010-04-08 22:14:14 UTC 2019-11-26 03:17:20 UTC FDB019265 beta-Elemenone Constituent of Myrica gale (bog myrtle). beta-Elemenone is found in herbs and spices. b-Elemenone Elemenone C15H22O 218.3346 218.167065326 5-ethenyl-5-methyl-4-(prop-1-en-2-yl)-2-(propan-2-ylidene)cyclohexan-1-one 5-ethenyl-5-methyl-4-(prop-1-en-2-yl)-2-(propan-2-ylidene)cyclohexan-1-one 20303-60-0 CC(=C)C1CC(=C(C)C)C(=O)CC1(C)C=C InChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7,13H,1,4,8-9H2,2-3,5-6H3 ABLPGPHZENVRRH-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homomonocyclic compounds Cyclic ketones Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid logp 4.17 ALOGPS logs -3.69 ALOGPS solubility 4.43e-02 g/l ALOGPS logp 3.97 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 5-ethenyl-5-methyl-4-(prop-1-en-2-yl)-2-(propan-2-ylidene)cyclohexan-1-one ChemAxon average_mass 218.3346 ChemAxon mono_mass 218.167065326 ChemAxon smiles CC(=C)C1CC(=C(C)C)C(=O)CC1(C)C=C ChemAxon formula C15H22O ChemAxon inchi InChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7,13H,1,4,8-9H2,2-3,5-6H3 ChemAxon inchikey ABLPGPHZENVRRH-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 69.73 ChemAxon polarizability 26.27 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21956 Specdb::CMs 156997 Specdb::MsMs 81858 Specdb::MsMs 81859 Specdb::MsMs 81860 Specdb::MsMs 143073 Specdb::MsMs 143074 Specdb::MsMs 143075 Specdb::MsMs 2688515 Specdb::MsMs 2688516 Specdb::MsMs 2688517 Specdb::MsMs 2993063 Specdb::MsMs 2993064 Specdb::MsMs 2993065 HMDB39637 #<Reference:0x000055ce33146b60> Herbs and Spices Unknown generic