1.0 2010-04-08 22:13:40 UTC 2019-11-26 03:16:05 UTC FDB018379 12-Tridecene-4,6,8,10-tetraynal Isolated from the roots of Silybum marianum (milk thistle). 12-Tridecene-4,6,8,10-tetraynal is found in green vegetables. C13H8O 180.202 180.057514878 tridec-12-en-4,6,8,10-tetraynal tridec-12-en-4,6,8,10-tetraynal 28789-45-9 C=CC#CC#CC#CC#CCCC=O InChI=1S/C13H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,13H,1,11-12H2 OFXBKGMSUXMAMD-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain of at least 12 carbon atoms. Fatty aldehydes Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes Aliphatic acyclic compounds Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic acyclic compound Alpha-hydrogen aldehyde Carbonyl group Fatty aldehyde Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound logp 3.79 ALOGPS logs -4.24 ALOGPS solubility 1.03e-02 g/l ALOGPS logp 2.8 ChemAxon pka_strongest_acidic 14.74 ChemAxon pka_strongest_basic -7 ChemAxon iupac tridec-12-en-4,6,8,10-tetraynal ChemAxon average_mass 180.202 ChemAxon mono_mass 180.057514878 ChemAxon smiles C=CC#CC#CC#CC#CCCC=O ChemAxon formula C13H8O ChemAxon inchi InChI=1S/C13H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,13H,1,11-12H2 ChemAxon inchikey OFXBKGMSUXMAMD-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 59.84 ChemAxon polarizability 21.52 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21350 Specdb::CMs 168684 Specdb::MsIr 8055 Specdb::MsMs 85533 Specdb::MsMs 85534 Specdb::MsMs 85535 Specdb::MsMs 147648 Specdb::MsMs 147649 Specdb::MsMs 147650 Specdb::MsMs 2332268 Specdb::MsMs 2332269 Specdb::MsMs 2332270 Specdb::MsMs 2630843 Specdb::MsMs 2630844 Specdb::MsMs 2630845 HMDB38915 #<Reference:0x000055ce328df3a0> Green vegetables Unknown generic