1.0 2010-04-08 22:10:38 UTC 2018-05-28 19:17:56 UTC FDB013312 (E)-5-Nonen-2-one Detected in many food volatiles (5E)-5-Nonen-2-one C9H16O 140.2227 140.120115134 (5E)-non-5-en-2-one (5E)-non-5-en-2-one 27039-84-5 CCC\C=C\CCC(C)=O InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5+ RXFZCBZCGBDPDT-AATRIKPKSA-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 logp 2.91 ALOGPS logs -2.49 ALOGPS solubility 4.49e-01 g/l ALOGPS logp 2.67 ChemAxon pka_strongest_acidic 19.6 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac (5E)-non-5-en-2-one ChemAxon average_mass 140.2227 ChemAxon mono_mass 140.120115134 ChemAxon smiles CCC\C=C\CCC(C)=O ChemAxon formula C9H16O ChemAxon inchi InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5+ ChemAxon inchikey RXFZCBZCGBDPDT-AATRIKPKSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 44.94 ChemAxon polarizability 17.66 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13433 Specdb::CMs 133010 Specdb::CMs 140744 Specdb::MsIr 6674 Specdb::MsIr 6675 Specdb::MsMs 53334 Specdb::MsMs 53335 Specdb::MsMs 53336 Specdb::MsMs 145896 Specdb::MsMs 145897 Specdb::MsMs 145898 Specdb::MsMs 2335012 Specdb::MsMs 2335013 Specdb::MsMs 2335014 Specdb::MsMs 2626841 Specdb::MsMs 2626842 Specdb::MsMs 2626843 HMDB34761 #<Reference:0x000055ce3322de20> berry fruity