1.0 2010-04-08 22:14:57 UTC 2025-11-19 02:29:43 UTC FDB020324 xi-2,3-Octadiene-5,7-diyn-1-ol Isolated from Lentinus edodes (shiitake). xi-2,3-Octadiene-5,7-diyn-1-ol is found in mushrooms. C8H6O 118.1326 118.041864814 octa-2,3-dien-5,7-diyn-1-ol octa-2,3-dien-5,7-diyn-1-ol OCC=C=CC#CC#C InChI=1S/C8H6O/c1-2-3-4-5-6-7-8-9/h1,5,7,9H,8H2 MFQBYQJLDHIYCH-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 1.54 ALOGPS logs -3.00 ALOGPS solubility 1.19e-01 g/l ALOGPS logp 0.95 ChemAxon pka_strongest_acidic 15.2 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac octa-2,3-dien-5,7-diyn-1-ol ChemAxon average_mass 118.1326 ChemAxon mono_mass 118.041864814 ChemAxon smiles OCC=C=CC#CC#C ChemAxon formula C8H6O ChemAxon inchi InChI=1S/C8H6O/c1-2-3-4-5-6-7-8-9/h1,5,7,9H,8H2 ChemAxon inchikey MFQBYQJLDHIYCH-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 39.01 ChemAxon polarizability 13.33 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21351 Specdb::CMs 46824 Specdb::CMs 158732 Specdb::MsMs 313498 Specdb::MsMs 313499 Specdb::MsMs 313500 Specdb::MsMs 359005 Specdb::MsMs 359006 Specdb::MsMs 359007 Specdb::MsMs 2303199 Specdb::MsMs 2303200 Specdb::MsMs 2303201 Specdb::MsMs 3065477 Specdb::MsMs 3065478 Specdb::MsMs 3065479 HMDB40549 #<Reference:0x000055ce32b624d8> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322