1.0 2026-09-22 01:13:56 UTC 2026-09-22 01:13:56 UTC FDB117463 2,5-HEXANEDIONE hexane-2,5-dione C6H10O2 114.1424 114.068079564 hexane-2,5-dione 2,5-hexanedione CC(=O)CCC(C)=O InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3 OJVAMHKKJGICOG-UHFFFAOYSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide Oxygenated hydrocarbons diketone methyl ketone logp 0.28 ALOGPS logs -0.35 ALOGPS solubility 5.08e+01 g/l ALOGPS logp 0.26 ChemAxon pka_strongest_acidic 17.73 ChemAxon pka_strongest_basic -7 ChemAxon iupac hexane-2,5-dione ChemAxon average_mass 114.1424 ChemAxon mono_mass 114.068079564 ChemAxon smiles CC(=O)CCC(C)=O ChemAxon formula C6H10O2 ChemAxon inchi InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3 ChemAxon inchikey OJVAMHKKJGICOG-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 30.64 ChemAxon polarizability 12.25 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 499 Specdb::CMs 113025 Specdb::CMs 126664 Specdb::MsMs 104730 Specdb::MsMs 104731 Specdb::MsMs 104732 Specdb::MsMs 171066 Specdb::MsMs 171067 Specdb::MsMs 171068 Specdb::MsMs 3401308 Specdb::MsMs 3401309 Specdb::MsMs 3401310 Specdb::MsMs 3401311 Specdb::MsMs 3401312 Specdb::MsMs 3401313 Specdb::NmrOneD 2140 Specdb::NmrOneD 2828 Specdb::NmrOneD 179581 Specdb::NmrOneD 179582 Specdb::NmrOneD 179583 Specdb::NmrOneD 179584 Specdb::NmrOneD 179585 Specdb::NmrOneD 179586 Specdb::NmrOneD 179587 Specdb::NmrOneD 179588 Specdb::NmrOneD 179589 Specdb::NmrOneD 179590 Specdb::NmrOneD 179591 Specdb::NmrOneD 179592 Specdb::NmrOneD 179593 Specdb::NmrOneD 179594 Specdb::NmrOneD 179595 Specdb::NmrOneD 179596 Specdb::NmrOneD 179597 Specdb::NmrOneD 179598 Specdb::NmrOneD 179599 Specdb::NmrOneD 179600