1.0 2010-04-08 22:05:06 UTC 2019-11-26 02:56:39 UTC FDB001767 9,9'-Diapo-10,9'-retro-carotene-9,9'-dione 9,9'-diapo-10,9'-retro-carotene-9,9'-dione is a member of the class of compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. 9,9'-diapo-10,9'-retro-carotene-9,9'-dione is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 9,9'-diapo-10,9'-retro-carotene-9,9'-dione can be found in a number of food items such as pepper (c. annuum), green bell pepper, orange bell pepper, and red bell pepper, which makes 9,9'-diapo-10,9'-retro-carotene-9,9'-dione a potential biomarker for the consumption of these food products. C18H22O2 270.3661 270.161979948 (3E,5E,7E,9E,11E,13E)-6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione (3E,5E,7E,9E,11E,13E)-6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione 336105-84-1 CC(=O)\C=C\C=C(/C)\C=C\C=C\C(\C)=C\C=C\C(C)=O InChI=1S/C18H22O2/c1-15(11-7-13-17(3)19)9-5-6-10-16(2)12-8-14-18(4)20/h5-14H,1-4H3/b9-5+,10-6+,13-7+,14-8+,15-11+,16-12+ QZHDVYDCBCWFDS-VQWIOURXSA-N belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. Enones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Acryloyl compounds Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic acyclic compound Enone Hydrocarbon derivative Ketone Organic oxide logp 4.37 ALOGPS logs -4.38 ALOGPS solubility 1.12e-02 g/l ALOGPS logp 3.74 ChemAxon pka_strongest_acidic 19.43 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (3E,5E,7E,9E,11E,13E)-6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione ChemAxon average_mass 270.3661 ChemAxon mono_mass 270.161979948 ChemAxon smiles CC(=O)\C=C\C=C(/C)\C=C\C=C\C(\C)=C\C=C\C(C)=O ChemAxon formula C18H22O2 ChemAxon inchi InChI=1S/C18H22O2/c1-15(11-7-13-17(3)19)9-5-6-10-16(2)12-8-14-18(4)20/h5-14H,1-4H3/b9-5+,10-6+,13-7+,14-8+,15-11+,16-12+ ChemAxon inchikey QZHDVYDCBCWFDS-VQWIOURXSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 91.87 ChemAxon polarizability 33.38 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72078 Specdb::MsMs 72079 Specdb::MsMs 72080 Specdb::MsMs 130890 Specdb::MsMs 130891 Specdb::MsMs 130892 Specdb::MsMs 3598402 Specdb::MsMs 3598403 Specdb::MsMs 3598404 Specdb::MsMs 3598405 Specdb::MsMs 3598406 Specdb::MsMs 3598407 Green bell pepper Type 1 specific Capsicum annuum 4072 Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072