1.0 2016-09-30 23:06:18 UTC 2020-04-22 15:12:49 UTC BMDB0003843 BMDB03843 Gamma-Caprolactone 4-Ethyl-4-butanolide 4-Hexanolide 4-Hydroxyhexanoic acid lactone 5-Ethyltetrahydro-2-furanone 6-Caprolactone Dihydro-5-ethyl-2(3H)-furanone gamma-Ethyl-N-butyrolactone gamma-Ethylbutyrolactone gamma-Hexanolactone 4-Hydroxyhexanoate lactone g-Ethyl-N-butyrolactone Γ-ethyl-N-butyrolactone g-Ethylbutyrolactone Γ-ethylbutyrolactone g-Hexanolactone Γ-hexanolactone g-Caprolactone Γ-caprolactone 4-Ethylbutanolide (gamma-hexalactone) 4-Hydroxy-hexanoate 4-Hydroxy-hexanoic acid 4-Hydroxy-hexanoic acid gamma-lactone 4-Hydroxy-hexanoic acid lactone 4-Hydroxyhexanoate 4-Hydroxyhexanoic acid 5-Ethyldihydro-2(3H)-furanone 5-Ethyldihydrofuran-2(3H)-one gamma-Ethyl-gamma-butyrolactone gamma-Hexalactone Hexa-4-olide Hexanolide-1,4 Tonkalide Toukalide C6H10O2 114.1424 114.068079564 5-ethyloxolan-2-one gamma-hexalactone 695-06-7 CCC1CCC(=O)O1 InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3 JBFHTYHTHYHCDJ-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. Organic compounds Organoheterocyclic compounds Lactones Gamma butyrolactones Gamma butyrolactones Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans 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 Tetrahydrofuran Aliphatic heteromonocyclic compounds Lactones butan-4-olide Liquid melting_point -18 °C logp 0.77 ALOGPS logs -0.71 ALOGPS logp 1.09 ChemAxon pka_strongest_basic -7 ChemAxon iupac 5-ethyloxolan-2-one ChemAxon average_mass 114.1424 ChemAxon mono_mass 114.068079564 ChemAxon smiles CCC1CCC(=O)O1 ChemAxon formula C6H10O2 ChemAxon inchi InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3 ChemAxon inchikey JBFHTYHTHYHCDJ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 29.25 ChemAxon polarizability 12.16 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 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::MsIr 2071 Specdb::MsIr 2072 Specdb::NmrTwoD 1919 Specdb::CMs 2355 Specdb::CMs 27361 Specdb::CMs 29058 Specdb::CMs 29258 Specdb::CMs 99828 Specdb::CMs 99829 Specdb::CMs 99830 Specdb::CMs 169813 Specdb::MsMs 2346 Specdb::MsMs 2347 Specdb::MsMs 2348 Specdb::MsMs 5993 Specdb::MsMs 5994 Specdb::MsMs 5995 Specdb::MsMs 177981 Specdb::MsMs 177982 Specdb::MsMs 177983 Specdb::MsMs 180294 Specdb::MsMs 180295 Specdb::MsMs 180296 Specdb::MsMs 2244136 Specdb::MsMs 2245973 Specdb::MsMs 2247980 Specdb::MsMs 2292144 Specdb::MsMs 2292145 Specdb::MsMs 2292146 Specdb::MsMs 2646153 Specdb::MsMs 2646154 Specdb::MsMs 2646155 Specdb::NmrOneD 1984 Specdb::NmrOneD 4522 Specdb::NmrOneD 4649 Specdb::NmrOneD 10662 Specdb::NmrOneD 10663 Specdb::NmrOneD 10664 Specdb::NmrOneD 10665 Specdb::NmrOneD 10666 Specdb::NmrOneD 10667 Specdb::NmrOneD 10668 Specdb::NmrOneD 10669 Specdb::NmrOneD 10670 Specdb::NmrOneD 10671 Specdb::NmrOneD 10672 Specdb::NmrOneD 10673 Specdb::NmrOneD 10674 Specdb::NmrOneD 10675 Specdb::NmrOneD 10676 Specdb::NmrOneD 10677 Specdb::NmrOneD 10678 Specdb::NmrOneD 10679 Specdb::NmrOneD 10680 Specdb::NmrOneD 10681 12232 FDB017640 85235 12756 C00053196