1.0 2010-04-08 22:12:22 UTC 2019-11-26 03:13:03 UTC FDB016328 5-Hexyldihydro-4-methyl-2(3H)-furanone Isolated from orange juice. 5-Hexyldihydro-4-methyl-2(3H)-furanone is found in citrus. 2(3H)-Furanone, 5-hexyldihydro-4-methyl- 2(3H)-Furanone, 5-hexyldihydro-4-methyl-, (4R-cis)- 2(3H)-Furanone, 5-hexyldihydro-4-methyl-, trans-(.+-.)- 3-Methyl-4-decanolide 5-Hexyl-4-methyldihydro-2(3H)-furanone 5-Hexyldihydro-4-methyl-(4R-cis)-2(3H)-furanone 5-Hexyldihydro-4-methyl-trans-(.+-.)-2(3H)-furanone 5-Hexyldihydro-4-methylfuran-2(3H)-one Cis-4-hydroxy-3-methyldecanoic Acid Lactone trans-4-Hydroxy-3-methyldecanoic acid lactone C11H20O2 184.2753 184.146329884 5-hexyl-4-methyloxolan-2-one trans-3-methyl-4-decanolide 67663-01-8 CCCCCCC1OC(=O)CC1C InChI=1S/C11H20O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-10H,3-8H2,1-2H3 XNRLAEXLQFIKEY-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. 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 3.61 ALOGPS logs -3.45 ALOGPS solubility 6.61e-02 g/l ALOGPS logp 3.23 ChemAxon pka_strongest_basic -7 ChemAxon iupac 5-hexyl-4-methyloxolan-2-one ChemAxon average_mass 184.2753 ChemAxon mono_mass 184.146329884 ChemAxon smiles CCCCCCC1OC(=O)CC1C ChemAxon formula C11H20O2 ChemAxon inchi InChI=1S/C11H20O2/c1-3-4-5-6-7-10-9(2)8-11(12)13-10/h9-10H,3-8H2,1-2H3 ChemAxon inchikey XNRLAEXLQFIKEY-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 52.13 ChemAxon polarizability 22.27 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 80217 Specdb::MsMs 80218 Specdb::MsMs 80219 Specdb::MsMs 141030 Specdb::MsMs 141031 Specdb::MsMs 141032 Specdb::MsMs 3041503 Specdb::MsMs 3041504 Specdb::MsMs 3041505 Specdb::MsMs 3102764 Specdb::MsMs 3102765 Specdb::MsMs 3102766 Specdb::CMs 23067 Specdb::CMs 172125 HMDB37309 #<Reference:0x000055ce32742fd8> Citrus Unknown generic floral