1.02010-04-08 22:13:05 UTC2019-11-26 03:14:50 UTCFDB0174252,6-Dimethyl-7-octene-2,3,6-triolConstituent of Vitis vinifera (wine grape). 2,6-Dimethyl-7-octene-2,3,6-triol is found in alcoholic beverages, fruits, and common grape.C10H20O3188.267188.1412445042,6-dimethyloct-7-ene-2,3,6-triol2,6-dimethyloct-7-ene-2,3,6-triol73815-21-1CC(C)(O)C(O)CCC(C)(O)C=CInChI=1S/C10H20O3/c1-5-10(4,13)7-6-8(11)9(2,3)12/h5,8,11-13H,1,6-7H2,2-4H3CNYFGLAROLNGDG-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 alcoholsOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty alcoholsAliphatic acyclic compoundsHydrocarbon derivativesPolyolsSecondary alcoholsTertiary alcoholsAlcoholAliphatic acyclic compoundFatty alcoholHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundPolyolSecondary alcoholTertiary alcohollogp0.51logs-0.80solubility2.96e+01 g/llogp0.51pka_strongest_acidic13.79pka_strongest_basic-2.9iupac2,6-dimethyloct-7-ene-2,3,6-triolaverage_mass188.267mono_mass188.141244504smilesCC(C)(O)C(O)CCC(C)(O)C=CformulaC10H20O3inchiInChI=1S/C10H20O3/c1-5-10(4,13)7-6-8(11)9(2,3)12/h5,8,11-13H,1,6-7H2,2-4H3inchikeyCNYFGLAROLNGDG-UHFFFAOYSA-Npolar_surface_area60.69refractivity52.55polarizability21.37rotatable_bond_count5acceptor_count3donor_count3physiological_charge0formal_charge0Specdb::CMs5890Specdb::CMs45718Specdb::CMs158541Specdb::NmrOneD25142Specdb::NmrOneD25143Specdb::NmrOneD25144Specdb::NmrOneD25145Specdb::NmrOneD25146Specdb::NmrOneD25147Specdb::NmrOneD25148Specdb::NmrOneD25149Specdb::NmrOneD25150Specdb::NmrOneD25151Specdb::NmrOneD25152Specdb::NmrOneD25153Specdb::NmrOneD25154Specdb::NmrOneD25155Specdb::NmrOneD25156Specdb::NmrOneD25157Specdb::NmrOneD25158Specdb::NmrOneD25159Specdb::NmrOneD25160Specdb::NmrOneD25161Specdb::MsMs90543Specdb::MsMs90544Specdb::MsMs90545Specdb::MsMs153723Specdb::MsMs153724Specdb::MsMs153725Specdb::MsMs2305578Specdb::MsMs2305579Specdb::MsMs2305580Specdb::MsMs3062764Specdb::MsMs3062765Specdb::MsMs3062766HMDB38186#<Reference:0x0000555675c19078>Alcoholic beveragesUnknowngenericCommon grapeType 1specificVitis vinifera29760FruitsUnknowngeneric