1.0 2010-04-08 22:04:34 UTC 2019-11-26 02:54:46 UTC FDB000424 (R)-1,3-Octanediol Constituent of apples. (R)-1,3-Octanediol is found in pomes. C8H18O2 146.2273 146.13067982 octane-1,3-diol 1,3-octanediol 120727-18-6 CCCCCC(O)CCO InChI=1S/C8H18O2/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3 DCTMXCOHGKSXIZ-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 Hydrocarbon derivatives Primary alcohols Secondary alcohols Alcohol Aliphatic acyclic compound Fatty alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol logp 1.56 ALOGPS logs -0.80 ALOGPS solubility 2.32e+01 g/l ALOGPS logp 1.12 ChemAxon pka_strongest_acidic 15.11 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac octane-1,3-diol ChemAxon average_mass 146.2273 ChemAxon mono_mass 146.13067982 ChemAxon smiles CCCCCC(O)CCO ChemAxon formula C8H18O2 ChemAxon inchi InChI=1S/C8H18O2/c1-2-3-4-5-8(10)6-7-9/h8-10H,2-7H2,1H3 ChemAxon inchikey DCTMXCOHGKSXIZ-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 42.16 ChemAxon polarizability 18.06 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3394 Specdb::MsIr 3395 Specdb::MsIr 3396 Specdb::NmrOneD 157730 Specdb::NmrOneD 157731 Specdb::NmrOneD 157732 Specdb::NmrOneD 157733 Specdb::NmrOneD 157734 Specdb::NmrOneD 157735 Specdb::NmrOneD 157736 Specdb::NmrOneD 157737 Specdb::NmrOneD 157738 Specdb::NmrOneD 157739 Specdb::NmrOneD 157740 Specdb::NmrOneD 157741 Specdb::NmrOneD 157742 Specdb::NmrOneD 157743 Specdb::NmrOneD 157744 Specdb::NmrOneD 157745 Specdb::NmrOneD 157746 Specdb::NmrOneD 157747 Specdb::NmrOneD 157748 Specdb::NmrOneD 157749 Specdb::CMs 26154 Specdb::CMs 41300 Specdb::CMs 156531 Specdb::MsMs 106998 Specdb::MsMs 106999 Specdb::MsMs 107000 Specdb::MsMs 173865 Specdb::MsMs 173866 Specdb::MsMs 173867 Specdb::MsMs 3056612 Specdb::MsMs 3056613 Specdb::MsMs 3056614 Specdb::MsMs 3111281 Specdb::MsMs 3111282 Specdb::MsMs 3111283 Pomes Unknown generic