1.0 2010-04-08 22:09:34 UTC 2019-11-26 03:04:48 UTC FDB011309 Sherry lactone Constituent of akaboshi zenmai (Osmunda japonica) fronds. Also isolated from sherry (stereochem. unspecified). Sherry lactone is found in alcoholic beverages and root vegetables. 2,3,6-Trideoxy-1,4-hexonolactone 5-Hydroxy-4-hexanolide Dihydro-5-(1-hydroxyethyl)-2(3H)-furanone Sherry lactone C6H10O3 130.1418 130.062994186 5-(1-hydroxyethyl)oxolan-2-one 5-(1-hydroxyethyl)oxolan-2-one 54656-51-8 CC(O)C1CCC(=O)O1 InChI=1S/C6H10O3/c1-4(7)5-2-3-6(8)9-5/h4-5,7H,2-3H2,1H3 KBLZKAKKJPDYKJ-UHFFFAOYSA-N belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Gamma butyrolactones Organic compounds Organoheterocyclic compounds Lactones Gamma butyrolactones Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Gamma butyrolactone Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Secondary alcohol Tetrahydrofuran logp -0.27 ALOGPS logs 0.47 ALOGPS solubility 3.82e+02 g/l ALOGPS logp -0.064 ChemAxon pka_strongest_acidic 14.48 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-(1-hydroxyethyl)oxolan-2-one ChemAxon average_mass 130.1418 ChemAxon mono_mass 130.062994186 ChemAxon smiles CC(O)C1CCC(=O)O1 ChemAxon formula C6H10O3 ChemAxon inchi InChI=1S/C6H10O3/c1-4(7)5-2-3-6(8)9-5/h4-5,7H,2-3H2,1H3 ChemAxon inchikey KBLZKAKKJPDYKJ-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 30.69 ChemAxon polarizability 12.93 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12597 Specdb::CMs 43201 Specdb::CMs 135612 Specdb::CMs 143346 Specdb::MsMs 12908 Specdb::MsMs 12909 Specdb::MsMs 12910 Specdb::MsMs 19580 Specdb::MsMs 19581 Specdb::MsMs 19582 Specdb::MsMs 2421012 Specdb::MsMs 2421013 Specdb::MsMs 2421014 Specdb::MsMs 2544673 Specdb::MsMs 2544674 Specdb::MsMs 2544675 Specdb::NmrOneD 119218 Specdb::NmrOneD 119219 Specdb::NmrOneD 119220 Specdb::NmrOneD 119221 Specdb::NmrOneD 119222 Specdb::NmrOneD 119223 Specdb::NmrOneD 119224 Specdb::NmrOneD 119225 Specdb::NmrOneD 119226 Specdb::NmrOneD 119227 Specdb::NmrOneD 119228 Specdb::NmrOneD 119229 Specdb::NmrOneD 119230 Specdb::NmrOneD 119231 Specdb::NmrOneD 119232 Specdb::NmrOneD 119233 Specdb::NmrOneD 119234 Specdb::NmrOneD 119235 Specdb::NmrOneD 119236 Specdb::NmrOneD 119237 HMDB33286 #<Reference:0x000055ce321f37f8> Alcoholic beverages Unknown generic Root vegetables Unknown generic