1.0 2010-04-08 22:11:06 UTC 2015-07-20 23:05:19 UTC FDB014142 (±)-5-Hydroxy-4-octanone Flavouring agent C8H16O2 144.2114 144.115029756 5-hydroxyoctan-4-one 5-hydroxyoctan-4-one 116296-89-0 CCCC(O)C(=O)CCC InChI=1S/C8H16O2/c1-3-5-7(9)8(10)6-4-2/h7,9H,3-6H2,1-2H3 BVEYJWQCMOVMAR-UHFFFAOYSA-N belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. Monosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic acyclic compounds Acyloins Alpha-hydroxy ketones Hydrocarbon derivatives Organic oxides Secondary alcohols Acyloin Alcohol Aliphatic acyclic compound Alpha-hydroxy ketone Carbonyl group Hydrocarbon derivative Ketone Monosaccharide Organic oxide Secondary alcohol logp 1.43 ALOGPS logs -0.89 ALOGPS solubility 1.86e+01 g/l ALOGPS logp 1.97 ChemAxon pka_strongest_acidic 13.41 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 5-hydroxyoctan-4-one ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CCCC(O)C(=O)CCC ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-3-5-7(9)8(10)6-4-2/h7,9H,3-6H2,1-2H3 ChemAxon inchikey BVEYJWQCMOVMAR-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 40.74 ChemAxon polarizability 17.1 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6934 Specdb::MsIr 6935 Specdb::MsIr 6936 Specdb::NmrOneD 131658 Specdb::NmrOneD 131659 Specdb::NmrOneD 131660 Specdb::NmrOneD 131661 Specdb::NmrOneD 131662 Specdb::NmrOneD 131663 Specdb::NmrOneD 131664 Specdb::NmrOneD 131665 Specdb::NmrOneD 131666 Specdb::NmrOneD 131667 Specdb::NmrOneD 131668 Specdb::NmrOneD 131669 Specdb::NmrOneD 131670 Specdb::NmrOneD 131671 Specdb::NmrOneD 131672 Specdb::NmrOneD 131673 Specdb::NmrOneD 131674 Specdb::NmrOneD 131675 Specdb::NmrOneD 131676 Specdb::NmrOneD 131677 Specdb::CMs 10726 Specdb::CMs 44396 Specdb::CMs 130422 Specdb::CMs 138156 Specdb::MsMs 57345 Specdb::MsMs 57346 Specdb::MsMs 57347 Specdb::MsMs 112998 Specdb::MsMs 112999 Specdb::MsMs 113000 Specdb::MsMs 2685915 Specdb::MsMs 2685916 Specdb::MsMs 2685917 Specdb::MsMs 2992223 Specdb::MsMs 2992224 Specdb::MsMs 2992225 HMDB35457 #<Reference:0x0000561272d16728>