1.0 2010-04-08 22:08:15 UTC 2019-11-26 03:03:14 UTC FDB008797 4,10-Longipinanedione Constituent of the flowers of Tanacetum vulgare (tansy). 4,10-Longipinanedione is found in herbs and spices. 2,4-Longipinanedione C15H22O2 234.334 234.161979948 3,3,7,9-tetramethyltricyclo[5.4.0.0²,⁸]undecane-4,10-dione 3,3,7,9-tetramethyltricyclo[5.4.0.0²,⁸]undecane-4,10-dione 88198-34-9 CC1C2C3C(CC1=O)C2(C)CCC(=O)C3(C)C InChI=1S/C15H22O2/c1-8-10(16)7-9-13-12(8)15(9,4)6-5-11(17)14(13,2)3/h8-9,12-13H,5-7H2,1-4H3 PZYLIQGFDJFRCZ-UHFFFAOYSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Bicyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homopolycyclic compounds Cyclic ketones Hydrocarbon derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Pinane monoterpenoid logp 2.50 ALOGPS logs -2.94 ALOGPS solubility 2.72e-01 g/l ALOGPS melting_point Mp 113.5-114.5° logp 2.92 ChemAxon pka_strongest_acidic 19.78 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3,3,7,9-tetramethyltricyclo[5.4.0.0²,⁸]undecane-4,10-dione ChemAxon average_mass 234.334 ChemAxon mono_mass 234.161979948 ChemAxon smiles CC1C2C3C(CC1=O)C2(C)CCC(=O)C3(C)C ChemAxon formula C15H22O2 ChemAxon inchi InChI=1S/C15H22O2/c1-8-10(16)7-9-13-12(8)15(9,4)6-5-11(17)14(13,2)3/h8-9,12-13H,5-7H2,1-4H3 ChemAxon inchikey PZYLIQGFDJFRCZ-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 66.2 ChemAxon polarizability 26.59 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15401 Specdb::CMs 156103 Specdb::MsMs 57924 Specdb::MsMs 57925 Specdb::MsMs 57926 Specdb::MsMs 113736 Specdb::MsMs 113737 Specdb::MsMs 113738 Specdb::MsMs 2369133 Specdb::MsMs 2369134 Specdb::MsMs 2369135 Specdb::MsMs 2566970 Specdb::MsMs 2566971 Specdb::MsMs 2566972 HMDB32081 #<Reference:0x000055ce30dbec60> Herbs and Spices Unknown generic