1.0 2010-04-08 22:13:43 UTC 2025-11-19 02:11:32 UTC FDB018449 4,6-Heptadiyne-1,3-diol Isolated from aerial parts of Artemisia dracunculus (tarragon). 4,6-Heptadiyne-1,3-diol is found in herbs and spices. C7H8O2 124.1372 124.0524295 hepta-4,6-diyne-1,3-diol hepta-4,6-diyne-1,3-diol OCCC(O)C#CC#C InChI=1S/C7H8O2/c1-2-3-4-7(9)5-6-8/h1,7-9H,5-6H2 VTFRDZFVCKUXNE-UHFFFAOYSA-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 Acetylides Hydrocarbon derivatives Primary alcohols Secondary alcohols Acetylide Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol logp -0.12 ALOGPS logs -2.64 ALOGPS solubility 2.85e-01 g/l ALOGPS logp -0.39 ChemAxon pka_strongest_acidic 13.38 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac hepta-4,6-diyne-1,3-diol ChemAxon average_mass 124.1372 ChemAxon mono_mass 124.0524295 ChemAxon smiles OCCC(O)C#CC#C ChemAxon formula C7H8O2 ChemAxon inchi InChI=1S/C7H8O2/c1-2-3-4-7(9)5-6-8/h1,7-9H,5-6H2 ChemAxon inchikey VTFRDZFVCKUXNE-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 35.23 ChemAxon polarizability 13.41 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13557 Specdb::CMs 46174 Specdb::CMs 168792 Specdb::MsIr 8066 Specdb::MsIr 8067 Specdb::MsIr 8068 Specdb::MsMs 60171 Specdb::MsMs 60172 Specdb::MsMs 60173 Specdb::MsMs 116466 Specdb::MsMs 116467 Specdb::MsMs 116468 Specdb::MsMs 2465364 Specdb::MsMs 2465365 Specdb::MsMs 2465366 Specdb::MsMs 2496725 Specdb::MsMs 2496726 Specdb::MsMs 2496727 Specdb::NmrOneD 30262 Specdb::NmrOneD 30263 Specdb::NmrOneD 30264 Specdb::NmrOneD 30265 Specdb::NmrOneD 30266 Specdb::NmrOneD 30267 Specdb::NmrOneD 30268 Specdb::NmrOneD 30269 Specdb::NmrOneD 30270 Specdb::NmrOneD 30271 Specdb::NmrOneD 30272 Specdb::NmrOneD 30273 Specdb::NmrOneD 30274 Specdb::NmrOneD 30275 Specdb::NmrOneD 30276 Specdb::NmrOneD 30277 Specdb::NmrOneD 30278 Specdb::NmrOneD 30279 Specdb::NmrOneD 30280 Specdb::NmrOneD 30281 HMDB38963 #<Reference:0x00007f08ec2dfef0> Herbs and Spices Unknown generic