1.0 2010-04-08 22:14:43 UTC 2019-11-26 03:18:12 UTC FDB019977 5,5-Dimethyl-2(5H)-furanone Aroma component of hop extract, and of lavender, sagebrush, narcissus and salmon oils. 5,5-Dimethyl-2(5H)-furanone is found in fishes and herbs and spices. 2(5H)-Furanone, 5,5-dimethyl- 4,4-Dimethyl-2-buten-4-olide 4,4-Dimethyl-2-butenolide 4,4-Dimethylbut-2-enolide 5,5-dimethyl-2-furanone 5,5-Dimethylbut-3-enolide 5,5-Dimethylfuran-2(5H)-one C6H8O2 112.1265 112.0524295 5,5-dimethyl-2,5-dihydrofuran-2-one 5,5-dimethylfuran-2-one 20019-64-1 CC1(C)OC(=O)C=C1 InChI=1S/C6H8O2/c1-6(2)4-3-5(7)8-6/h3-4H,1-2H3 YNKQMZRTPPVLLL-UHFFFAOYSA-N belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. Butenolides Organic compounds Organoheterocyclic compounds Dihydrofurans Furanones Aliphatic heteromonocyclic compounds Carbonyl compounds Enoate esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 2-furanone Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 1.26 ALOGPS logs -0.63 ALOGPS solubility 2.64e+01 g/l ALOGPS logp 1.23 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 5,5-dimethyl-2,5-dihydrofuran-2-one ChemAxon average_mass 112.1265 ChemAxon mono_mass 112.0524295 ChemAxon smiles CC1(C)OC(=O)C=C1 ChemAxon formula C6H8O2 ChemAxon inchi InChI=1S/C6H8O2/c1-6(2)4-3-5(7)8-6/h3-4H,1-2H3 ChemAxon inchikey YNKQMZRTPPVLLL-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 30.3 ChemAxon polarizability 11.32 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21598 Specdb::CMs 171567 Specdb::MsIr 8860 Specdb::MsIr 8861 Specdb::MsMs 9710 Specdb::MsMs 9711 Specdb::MsMs 9712 Specdb::MsMs 16382 Specdb::MsMs 16383 Specdb::MsMs 16384 Specdb::MsMs 2435188 Specdb::MsMs 2435189 Specdb::MsMs 2435190 Specdb::MsMs 2526990 Specdb::MsMs 2526991 Specdb::MsMs 2526992 Specdb::NmrOneD 39382 Specdb::NmrOneD 39383 Specdb::NmrOneD 39384 Specdb::NmrOneD 39385 Specdb::NmrOneD 39386 Specdb::NmrOneD 39387 Specdb::NmrOneD 39388 Specdb::NmrOneD 39389 Specdb::NmrOneD 39390 Specdb::NmrOneD 39391 Specdb::NmrOneD 39392 Specdb::NmrOneD 39393 Specdb::NmrOneD 39394 Specdb::NmrOneD 39395 Specdb::NmrOneD 39396 Specdb::NmrOneD 39397 Specdb::NmrOneD 39398 Specdb::NmrOneD 39399 Specdb::NmrOneD 39400 Specdb::NmrOneD 39401 HMDB40260 #<Reference:0x000055ce32780c20> Fishes Unknown generic Herbs and Spices Unknown generic