1.0 2010-04-08 22:09:35 UTC 2019-11-26 03:04:49 UTC FDB011326 (4S,6S)-3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one Constituent of Osmunda japonica (zenmai). (4S,6S)-3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one is found in root vegetables. C6H10O3 130.1418 130.062994186 4-hydroxy-6-methyloxan-2-one 4-hydroxy-6-methyloxan-2-one 33275-54-6 CC1CC(O)CC(=O)O1 InChI=1S/C6H10O3/c1-4-2-5(7)3-6(8)9-4/h4-5,7H,2-3H2,1H3 KKZQBMBBMJKIRQ-UHFFFAOYSA-N belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety. Delta valerolactones Organic compounds Organoheterocyclic compounds Lactones Delta valerolactones Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Secondary alcohols Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Delta valerolactone Delta_valerolactone Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane Secondary alcohol logp -0.17 ALOGPS logs 0.46 ALOGPS solubility 3.73e+02 g/l ALOGPS melting_point Mp 67-70° logp -0.29 ChemAxon pka_strongest_acidic 14.92 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 4-hydroxy-6-methyloxan-2-one ChemAxon average_mass 130.1418 ChemAxon mono_mass 130.062994186 ChemAxon smiles CC1CC(O)CC(=O)O1 ChemAxon formula C6H10O3 ChemAxon inchi InChI=1S/C6H10O3/c1-4-2-5(7)3-6(8)9-4/h4-5,7H,2-3H2,1H3 ChemAxon inchikey KKZQBMBBMJKIRQ-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 30.8 ChemAxon polarizability 12.92 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21613 Specdb::CMs 43216 Specdb::CMs 165514 Specdb::MsMs 13001 Specdb::MsMs 13002 Specdb::MsMs 13003 Specdb::MsMs 19673 Specdb::MsMs 19674 Specdb::MsMs 19675 Specdb::MsMs 2466222 Specdb::MsMs 2466223 Specdb::MsMs 2466224 Specdb::MsMs 2495825 Specdb::MsMs 2495826 Specdb::MsMs 2495827 Specdb::NmrOneD 119278 Specdb::NmrOneD 119279 Specdb::NmrOneD 119280 Specdb::NmrOneD 119281 Specdb::NmrOneD 119282 Specdb::NmrOneD 119283 Specdb::NmrOneD 119284 Specdb::NmrOneD 119285 Specdb::NmrOneD 119286 Specdb::NmrOneD 119287 Specdb::NmrOneD 119288 Specdb::NmrOneD 119289 Specdb::NmrOneD 119290 Specdb::NmrOneD 119291 Specdb::NmrOneD 119292 Specdb::NmrOneD 119293 Specdb::NmrOneD 119294 Specdb::NmrOneD 119295 Specdb::NmrOneD 119296 Specdb::NmrOneD 119297 HMDB33302 #<Reference:0x000055ce31f188f8> Root vegetables Unknown generic