1.0 2016-09-30 23:00:45 UTC 2020-04-22 15:11:08 UTC BMDB0002523 BMDB02523 Oxolan-3-one 3-Oxotetrahydrofuran dihydro-3(2H)-Furanone Dihydrofuran-3-one C4H6O2 86.0892 86.036779436 oxolan-3-one dihydrofuran-3-one 22929-52-8 O=C1CCOC1 InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2 JLPJFSCQKHRSQR-UHFFFAOYSA-N belongs to the class of organic compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group. Organic compounds Organoheterocyclic compounds Dihydrofurans Furanones Furanones Cyclic ketones Dialkyl ethers Hydrocarbon derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans 3-furanone Aliphatic heteromonocyclic compound Carbonyl group Cyclic ketone Dialkyl ether Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran Aliphatic heteromonocyclic compounds Solid logp -0.77 ALOGPS logs 0.78 ALOGPS logp -0.13 ChemAxon pka_strongest_acidic 17.26 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac oxolan-3-one ChemAxon average_mass 86.0892 ChemAxon mono_mass 86.036779436 ChemAxon smiles O=C1CCOC1 ChemAxon formula C4H6O2 ChemAxon inchi InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2 ChemAxon inchikey JLPJFSCQKHRSQR-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 20.79 ChemAxon polarizability 8.24 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 291658 Specdb::MsMs 291659 Specdb::MsMs 291660 Specdb::MsMs 331630 Specdb::MsMs 331631 Specdb::MsMs 331632 Specdb::MsMs 2790278 Specdb::MsMs 2790279 Specdb::MsMs 2790280 Specdb::MsMs 2915321 Specdb::MsMs 2915322 Specdb::MsMs 2915323 Specdb::MsIr 1795 Specdb::MsIr 1796 Specdb::CMs 11624 Specdb::CMs 132567 Specdb::CMs 140301 Specdb::NmrOneD 122638 Specdb::NmrOneD 122639 Specdb::NmrOneD 122640 Specdb::NmrOneD 122641 Specdb::NmrOneD 122642 Specdb::NmrOneD 122643 Specdb::NmrOneD 122644 Specdb::NmrOneD 122645 Specdb::NmrOneD 122646 Specdb::NmrOneD 122647 Specdb::NmrOneD 122648 Specdb::NmrOneD 122649 Specdb::NmrOneD 122650 Specdb::NmrOneD 122651 Specdb::NmrOneD 122652 Specdb::NmrOneD 122653 Specdb::NmrOneD 122654 Specdb::NmrOneD 122655 Specdb::NmrOneD 122656 Specdb::NmrOneD 122657 461367 FDB023023 529392 6710 Weiland, J. H. Sperna. The chemistry of 3-oxotetrahydrofurans. II. Cyclization of 2-alkoxyethyl diazomethyl ketones. Recueil des Travaux Chimiques des Pays-Bas (1964), 84(1), 81-93.