1.0 2010-04-08 22:09:13 UTC 2019-11-26 03:03:55 UTC FDB010628 (Z,Z)-2,9,16-Heptadecatriene-4,6-diyn-8-ol Isolated from fresh roots of Silybum marianum (milk thistle). (Z,Z)-2,9,16-Heptadecatriene-4,6-diyn-8-ol is found in green vegetables. C17H22O 242.356 242.167065326 (2Z,9E)-heptadeca-2,9,16-trien-4,6-diyn-8-ol (2Z,9E)-heptadeca-2,9,16-trien-4,6-diyn-8-ol 13894-72-9 C\C=C/C#CC#CC(O)\C=C\CCCCCC=C InChI=1S/C17H22O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h3-4,6,14,16-18H,1,5,7,9-10,12H2,2H3/b6-4-,16-14+ BVVCAUWTOOENBU-JSNTUCNZSA-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 Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol logp 5.19 ALOGPS logs -4.73 ALOGPS solubility 4.53e-03 g/l ALOGPS logp 5.09 ChemAxon pka_strongest_acidic 13.5 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac (2Z,9E)-heptadeca-2,9,16-trien-4,6-diyn-8-ol ChemAxon average_mass 242.356 ChemAxon mono_mass 242.167065326 ChemAxon smiles C\C=C/C#CC#CC(O)\C=C\CCCCCC=C ChemAxon formula C17H22O ChemAxon inchi InChI=1S/C17H22O/c1-3-5-7-9-10-12-14-16-17(18)15-13-11-8-6-4-2/h3-4,6,14,16-18H,1,5,7,9-10,12H2,2H3/b6-4-,16-14+ ChemAxon inchikey BVVCAUWTOOENBU-JSNTUCNZSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 82.38 ChemAxon polarizability 30.84 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23573 Specdb::CMs 42909 Specdb::CMs 131020 Specdb::CMs 138754 Specdb::MsMs 104175 Specdb::MsMs 104176 Specdb::MsMs 104177 Specdb::MsMs 170391 Specdb::MsMs 170392 Specdb::MsMs 170393 Specdb::MsMs 2363324 Specdb::MsMs 2363325 Specdb::MsMs 2363326 Specdb::MsMs 2603051 Specdb::MsMs 2603052 Specdb::MsMs 2603053 HMDB32674 #<Reference:0x000055ce30f5b6e0> Green vegetables Unknown generic