1.0 2016-09-30 22:51:58 UTC 2020-04-22 15:09:59 UTC BMDB0002167 BMDB02167 3-Methylbutyrolactone (S)-(-)-3-Methyl-gamma-butyrolactone (S)-Dihydro-4-methylfuran-2(3H)-one 4-Methyldihydro-2(3H)-furanone Dihydro-4-methyl-2(3H)-furanone S-beta-Methyl-gamma-butyrolactone 3-Methylbutyrolactone C5H8O2 100.1158 100.0524295 4-methyloxolan-2-one 4-methyldihydro-2(3H)-furanone 1679-49-8 CC1COC(=O)C1 InChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3 ALZLTHLQMAFAPA-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 Solid logp 0.41 ALOGPS logs -0.04 ALOGPS logp 0.51 ChemAxon pka_strongest_basic -7 ChemAxon iupac 4-methyloxolan-2-one ChemAxon average_mass 100.1158 ChemAxon mono_mass 100.0524295 ChemAxon smiles CC1COC(=O)C1 ChemAxon formula C5H8O2 ChemAxon inchi InChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3 ChemAxon inchikey ALZLTHLQMAFAPA-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 24.78 ChemAxon polarizability 10.12 ChemAxon rotatable_bond_count 0 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::CMs 21165 Specdb::CMs 169151 Specdb::MsIr 1656 Specdb::MsIr 1657 Specdb::MsMs 71775 Specdb::MsMs 71776 Specdb::MsMs 71777 Specdb::MsMs 130515 Specdb::MsMs 130516 Specdb::MsMs 130517 Specdb::MsMs 2284006 Specdb::MsMs 2284007 Specdb::MsMs 2284008 Specdb::MsMs 3081510 Specdb::MsMs 3081511 Specdb::MsMs 3081512 Specdb::NmrOneD 10122 Specdb::NmrOneD 10123 Specdb::NmrOneD 10124 Specdb::NmrOneD 10125 Specdb::NmrOneD 10126 Specdb::NmrOneD 10127 Specdb::NmrOneD 10128 Specdb::NmrOneD 10129 Specdb::NmrOneD 10130 Specdb::NmrOneD 10131 Specdb::NmrOneD 10132 Specdb::NmrOneD 10133 Specdb::NmrOneD 10134 Specdb::NmrOneD 10135 Specdb::NmrOneD 10136 Specdb::NmrOneD 10137 Specdb::NmrOneD 10138 Specdb::NmrOneD 10139 Specdb::NmrOneD 10140 Specdb::NmrOneD 10141 88906 FDB016729 98451 173338 6521 Beavers, William Anthony; Ignatchenko, Alexey Victorovitch. Process for preparing a- and b-methyl-g-butyrolactone and 3-methyltetrahydrofuran. Eur. Pat. Appl. (2004), 26 pp.