1.0 2010-04-08 22:06:48 UTC 2019-11-26 03:00:43 UTC FDB005702 4,5-Dihydro-8,9-dehydrotheaspirone 4,5-dihydro-8,9-dehydrotheaspirone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4,5-dihydro-8,9-dehydrotheaspirone can be found in sunflower, which makes 4,5-dihydro-8,9-dehydrotheaspirone a potential biomarker for the consumption of this food product. C13H20O2 208.2967 208.146329884 (10S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-2-en-8-one (10S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-2-en-8-one C[C@H]1CC(=O)CC(C)(C)C11CC=C(C)O1 InChI=1S/C13H20O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h5,9H,6-8H2,1-4H3/t9-,13?/m0/s1 VPOZXWNCEHPJQK-LLTODGECSA-N belongs to the class of organic compounds known as dihydrofurans. Dihydrofurans are compounds containing a dihydrofuran moiety, which is a furan derivative with only one double bond. Dihydrofurans Organic compounds Organoheterocyclic compounds Dihydrofurans Aliphatic heteropolycyclic compounds Cyclic ketones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Aliphatic heteropolycyclic compound Carbonyl group Cyclic ketone Dihydrofuran Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 3.02 ALOGPS logs -2.65 ALOGPS solubility 4.63e-01 g/l ALOGPS logp 2.27 ChemAxon pka_strongest_acidic 19.11 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac (10S)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-2-en-8-one ChemAxon average_mass 208.2967 ChemAxon mono_mass 208.146329884 ChemAxon smiles C[C@H]1CC(=O)CC(C)(C)C11CC=C(C)O1 ChemAxon formula C13H20O2 ChemAxon inchi InChI=1S/C13H20O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h5,9H,6-8H2,1-4H3/t9-,13?/m0/s1 ChemAxon inchikey VPOZXWNCEHPJQK-LLTODGECSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 61.35 ChemAxon polarizability 23.67 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72042 Specdb::MsMs 72043 Specdb::MsMs 72044 Specdb::MsMs 130845 Specdb::MsMs 130846 Specdb::MsMs 130847 Specdb::MsMs 3602078 Specdb::MsMs 3602079 Specdb::MsMs 3602080 Specdb::MsMs 3602081 Specdb::MsMs 3602082 Specdb::MsMs 3602083 Sunflower Type 1 specific Helianthus annuus 4232