1.0 2010-04-08 22:06:00 UTC 2019-11-26 02:59:39 UTC FDB003901 8-Hydroxyfalcarinone 8-hydroxyfalcarinone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 8-hydroxyfalcarinone can be found in wild celery, which makes 8-hydroxyfalcarinone a potential biomarker for the consumption of this food product. C17H22O2 258.3554 258.161979948 (9E)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one (9E)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one CCCCCCC\C=C\C(O)C#CC#CC(=O)C=C InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,17,19H,2-3,5-9H2,1H3/b14-10+ STNWZOBISHHDCD-GXDHUFHOSA-N belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Acryloyl compounds Enones Hydrocarbon derivatives Ketones Organic oxides Secondary alcohols Acryloyl-group Alcohol Aliphatic acyclic compound Alpha,beta-unsaturated ketone Carbonyl group Enone Fatty alcohol Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol logp 4.70 ALOGPS logs -4.81 ALOGPS solubility 3.97e-03 g/l ALOGPS logp 5.14 ChemAxon pka_strongest_acidic 13.23 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (9E)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one ChemAxon average_mass 258.3554 ChemAxon mono_mass 258.161979948 ChemAxon smiles CCCCCCC\C=C\C(O)C#CC#CC(=O)C=C ChemAxon formula C17H22O2 ChemAxon inchi InChI=1S/C17H22O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,17,19H,2-3,5-9H2,1H3/b14-10+ ChemAxon inchikey STNWZOBISHHDCD-GXDHUFHOSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 81.93 ChemAxon polarizability 32.05 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 95571 Specdb::MsMs 95572 Specdb::MsMs 95573 Specdb::MsMs 159858 Specdb::MsMs 159859 Specdb::MsMs 159860 Specdb::MsMs 3599594 Specdb::MsMs 3599595 Specdb::MsMs 3599596 Specdb::MsMs 3599597 Specdb::MsMs 3599598 Specdb::MsMs 3599599 Wild celery Type 1 specific Apium graveolens 4045