1.0 2010-04-08 22:14:37 UTC 2019-11-26 03:17:55 UTC FDB019842 5-Hydroxy-4-pentenoic acid d-lactone Constituent of roasted peanut flavour. 5-Hydroxy-4-pentenoic acid d-lactone is found in nuts. 2H-Pyran-2-one, 3,4-dihydro- 3,4-dihydro-2H-Pyran-2-one 4,5-Dehydrovalerolactone 5-Hydroxy-4-pentenoic acid d-lactone C5H6O2 98.0999 98.036779436 3,4-dihydro-2H-pyran-2-one 3,4-dihydropyran-2-one 26638-97-1 O=C1CCC=CO1 InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h2,4H,1,3H2 VEFDLKXOSOFUIN-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond. Dihydropyranones Organic compounds Organoheterocyclic compounds Pyrans Pyranones and derivatives Aliphatic heteromonocyclic compounds Carbonyl compounds Enol esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dihydropyranone Enol ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 0.63 ALOGPS logs 0.05 ALOGPS solubility 1.11e+02 g/l ALOGPS logp 0.61 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 3,4-dihydro-2H-pyran-2-one ChemAxon average_mass 98.0999 ChemAxon mono_mass 98.036779436 ChemAxon smiles O=C1CCC=CO1 ChemAxon formula C5H6O2 ChemAxon inchi InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h2,4H,1,3H2 ChemAxon inchikey VEFDLKXOSOFUIN-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 25 ChemAxon polarizability 9.33 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8686 Specdb::MsIr 8687 Specdb::MsMs 301285 Specdb::MsMs 301286 Specdb::MsMs 301287 Specdb::MsMs 343771 Specdb::MsMs 343772 Specdb::MsMs 343773 Specdb::MsMs 2298849 Specdb::MsMs 2298850 Specdb::MsMs 2298851 Specdb::MsMs 2639191 Specdb::MsMs 2639192 Specdb::MsMs 2639193 Specdb::CMs 15934 Specdb::CMs 174613 HMDB40145 #<Reference:0x00007f088c782058> Nuts Unknown generic