1.0 2010-04-08 22:04:59 UTC 2025-11-18 22:31:36 UTC FDB001485 Dehydrosafynol Dehydrosafynol, also known as (2r,11e)-11-tridecene-3,5,7,9-tetrayne-1,2-diol, is a member of the class of compounds known as long-chain fatty alcohols. Long-chain fatty alcohols are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Thus, dehydrosafynol is considered to be a fatty alcohol lipid molecule. Dehydrosafynol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dehydrosafynol can be found in safflower, which makes dehydrosafynol a potential biomarker for the consumption of this food product. C13H10O2 198.2173 198.068079564 (2R,11E)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol dehydrosafynol 1540-85-8 C\C=C\C#CC#CC#CC#C[C@@H](O)CO InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,13-15H,12H2,1H3/b3-2+/t13-/m1/s1 CZFQZIRMRQWYEB-YWVDXFKGSA-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 1,2-diols Hydrocarbon derivatives Primary alcohols Secondary alcohols 1,2-diol Alcohol Aliphatic acyclic compound Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol long-chain fatty alcohol logp 2.82 ALOGPS logs -4.08 ALOGPS solubility 1.65e-02 g/l ALOGPS logp 1.86 ChemAxon pka_strongest_acidic 12.62 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (2R,11E)-tridec-11-en-3,5,7,9-tetrayne-1,2-diol ChemAxon average_mass 198.2173 ChemAxon mono_mass 198.068079564 ChemAxon smiles C\C=C\C#CC#CC#CC#C[C@@H](O)CO ChemAxon formula C13H10O2 ChemAxon inchi InChI=1S/C13H10O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,13-15H,12H2,1H3/b3-2+/t13-/m1/s1 ChemAxon inchikey CZFQZIRMRQWYEB-YWVDXFKGSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 63.31 ChemAxon polarizability 23.58 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 109143 Specdb::MsMs 109144 Specdb::MsMs 109145 Specdb::MsMs 176538 Specdb::MsMs 176539 Specdb::MsMs 176540 Specdb::MsMs 3597505 Specdb::MsMs 3597506 Specdb::MsMs 3597507 Specdb::MsMs 3597508 Specdb::MsMs 3597509 Specdb::MsMs 3597510 Safflower Type 1 specific Carthamus tinctorius 4222