1.0 2010-04-08 22:11:31 UTC 2025-11-19 00:50:19 UTC FDB014862 Marmelolactone A Contributes to the flavour of ripe quince fruit (Cydonia oblonga). Marmelolactone A is found in quince and fruits. Marmelolactone A C10H14O2 166.217 166.099379692 3-methyl-5-[(1Z)-3-methylbuta-1,3-dien-1-yl]oxolan-2-one 3-methyl-5-[(1Z)-3-methylbuta-1,3-dien-1-yl]oxolan-2-one 74133-35-0 CC1CC(OC1=O)\C=C/C(C)=C InChI=1S/C10H14O2/c1-7(2)4-5-9-6-8(3)10(11)12-9/h4-5,8-9H,1,6H2,2-3H3/b5-4- VOJBXZDIFIJUKD-PLNGDYQASA-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. Gamma butyrolactones Organic compounds Organoheterocyclic compounds Lactones Gamma butyrolactones Aliphatic heteromonocyclic compounds 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 logp 2.66 ALOGPS logs -2.00 ALOGPS solubility 1.65e+00 g/l ALOGPS logp 2.25 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3-methyl-5-[(1Z)-3-methylbuta-1,3-dien-1-yl]oxolan-2-one ChemAxon average_mass 166.217 ChemAxon mono_mass 166.099379692 ChemAxon smiles CC1CC(OC1=O)\C=C/C(C)=C ChemAxon formula C10H14O2 ChemAxon inchi InChI=1S/C10H14O2/c1-7(2)4-5-9-6-8(3)10(11)12-9/h4-5,8-9H,1,6H2,2-3H3/b5-4- ChemAxon inchikey VOJBXZDIFIJUKD-PLNGDYQASA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 48.32 ChemAxon polarizability 17.82 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 73014 Specdb::MsMs 73015 Specdb::MsMs 73016 Specdb::MsMs 132090 Specdb::MsMs 132091 Specdb::MsMs 132092 Specdb::MsMs 2715643 Specdb::MsMs 2715644 Specdb::MsMs 2715645 Specdb::MsMs 2966721 Specdb::MsMs 2966722 Specdb::MsMs 2966723 Specdb::CMs 25759 Specdb::CMs 167768 HMDB0036042 Fruits Unknown generic Quince Type 1 specific Cydonia oblonga 36610