1.02010-04-08 22:04:34 UTC2019-11-26 02:54:46 UTCFDB000424(R)-1,3-OctanediolConstituent of apples. (R)-1,3-Octanediol is found in pomes.C8H18O2146.2273146.13067982octane-1,3-diol1,3-octanediol120727-18-6CCCCCC(O)CCOInChI=1S/C8H18O2/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3DCTMXCOHGKSXIZ-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 derivativesPrimary alcoholsSecondary alcoholsAlcoholAliphatic acyclic compoundFatty alcoholHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundPrimary alcoholSecondary alcohollogp1.56logs-0.80solubility2.32e+01 g/llogp1.12pka_strongest_acidic15.11pka_strongest_basic-2.4iupacoctane-1,3-diolaverage_mass146.2273mono_mass146.13067982smilesCCCCCC(O)CCOformulaC8H18O2inchiInChI=1S/C8H18O2/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3inchikeyDCTMXCOHGKSXIZ-UHFFFAOYSA-Npolar_surface_area40.46refractivity42.16polarizability18.06rotatable_bond_count6acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::MsIr3394Specdb::MsIr3395Specdb::MsIr3396Specdb::NmrOneD157730Specdb::NmrOneD157731Specdb::NmrOneD157732Specdb::NmrOneD157733Specdb::NmrOneD157734Specdb::NmrOneD157735Specdb::NmrOneD157736Specdb::NmrOneD157737Specdb::NmrOneD157738Specdb::NmrOneD157739Specdb::NmrOneD157740Specdb::NmrOneD157741Specdb::NmrOneD157742Specdb::NmrOneD157743Specdb::NmrOneD157744Specdb::NmrOneD157745Specdb::NmrOneD157746Specdb::NmrOneD157747Specdb::NmrOneD157748Specdb::NmrOneD157749Specdb::CMs26154Specdb::CMs41300Specdb::CMs156531Specdb::MsMs106998Specdb::MsMs106999Specdb::MsMs107000Specdb::MsMs173865Specdb::MsMs173866Specdb::MsMs173867Specdb::MsMs3056612Specdb::MsMs3056613Specdb::MsMs3056614Specdb::MsMs3111281Specdb::MsMs3111282Specdb::MsMs3111283PomesUnknowngeneric