1.0 2010-04-08 22:13:44 UTC 2019-11-26 03:16:13 UTC FDB018486 3,5,7-Octatriyn-1-ol Isolated from Lentinus edodes (shiitake). 3,5,7-Octatriyn-1-ol is found in mushrooms. C8H6O 118.1326 118.041864814 octa-3,5,7-triyn-1-ol octa-3,5,7-triyn-1-ol 6071-20-1 OCCC#CC#CC#C InChI=1S/C8H6O/c1-2-3-4-5-6-7-8-9/h1,9H,7-8H2 UKLDABCYBVVGHL-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 Acetylide Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol logp 1.69 ALOGPS logs -3.40 ALOGPS solubility 4.65e-02 g/l ALOGPS logp 0.95 ChemAxon pka_strongest_acidic 15.53 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac octa-3,5,7-triyn-1-ol ChemAxon average_mass 118.1326 ChemAxon mono_mass 118.041864814 ChemAxon smiles OCCC#CC#CC#C ChemAxon formula C8H6O ChemAxon inchi InChI=1S/C8H6O/c1-2-3-4-5-6-7-8-9/h1,9H,7-8H2 ChemAxon inchikey UKLDABCYBVVGHL-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 37.72 ChemAxon polarizability 13.5 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20229 Specdb::CMs 46197 Specdb::CMs 164453 Specdb::MsIr 8092 Specdb::MsIr 8093 Specdb::MsMs 49080 Specdb::MsMs 49081 Specdb::MsMs 49082 Specdb::MsMs 118965 Specdb::MsMs 118966 Specdb::MsMs 118967 Specdb::MsMs 2777600 Specdb::MsMs 2777601 Specdb::MsMs 2777602 Specdb::MsMs 2900883 Specdb::MsMs 2900884 Specdb::MsMs 2900885 HMDB38998 #<Reference:0x000055ce3200a428> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322