1.0 2010-04-08 22:11:59 UTC 2019-11-26 03:12:01 UTC FDB015678 (2E,5E,12Z,15Z)-1-Hydroxy-2,5,12,15-heneicosatetraen-4-one Constituent of avocado (Persea americana). (2E,5E,12Z,15Z)-1-Hydroxy-2,5,12,15-heneicosatetraen-4-one is found in fruits. C21H34O2 318.4935 318.255880332 (2E,5E,12E,15E)-1-hydroxyhenicosa-2,5,12,15-tetraen-4-one (2E,5E,12E,15E)-1-hydroxyhenicosa-2,5,12,15-tetraen-4-one CCCCC\C=C\C\C=C\CCCCC\C=C\C(=O)\C=C\CO InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-17-20-22/h6-7,9-10,16-19,22H,2-5,8,11-15,20H2,1H3/b7-6+,10-9+,18-16+,19-17+ QQWDVOVXGKHITR-MORWAMEYSA-N belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Long-chain fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic acyclic compounds Acryloyl compounds Enones Hydrocarbon derivatives Ketones Organic oxides Primary alcohols Acryloyl-group Alcohol Aliphatic acyclic compound Alpha,beta-unsaturated ketone Carbonyl group Enone Hydrocarbon derivative Ketone Long chain fatty alcohol Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol logp 6.46 ALOGPS logs -6.29 ALOGPS solubility 1.62e-04 g/l ALOGPS logp 6.61 ChemAxon pka_strongest_acidic 15.59 ChemAxon pka_strongest_basic -2.5 ChemAxon iupac (2E,5E,12E,15E)-1-hydroxyhenicosa-2,5,12,15-tetraen-4-one ChemAxon average_mass 318.4935 ChemAxon mono_mass 318.255880332 ChemAxon smiles CCCCC\C=C\C\C=C\CCCCC\C=C\C(=O)\C=C\CO ChemAxon formula C21H34O2 ChemAxon inchi InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-17-20-22/h6-7,9-10,16-19,22H,2-5,8,11-15,20H2,1H3/b7-6+,10-9+,18-16+,19-17+ ChemAxon inchikey QQWDVOVXGKHITR-MORWAMEYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 105.26 ChemAxon polarizability 39.96 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 33049 Specdb::CMs 45007 Specdb::CMs 132558 Specdb::CMs 140292 Specdb::MsMs 69951 Specdb::MsMs 69952 Specdb::MsMs 69953 Specdb::MsMs 128349 Specdb::MsMs 128350 Specdb::MsMs 128351 Specdb::MsMs 2771186 Specdb::MsMs 2771187 Specdb::MsMs 2771188 Specdb::MsMs 2907858 Specdb::MsMs 2907859 Specdb::MsMs 2907860 HMDB36740 #<Reference:0x000055ce332e0c00> Fruits Unknown generic