1.0 2010-04-08 22:13:05 UTC 2015-07-20 23:38:34 UTC FDB017417 Davanone Main component of davana oil from Artemisia pallens. Davana oil used in food flavouring 2-(5-Ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-5-hepten-3-one, 9CI Davanone c C15H24O2 236.3499 236.177630012 2-(5-ethenyl-5-methyloxolan-2-yl)-6-methylhept-5-en-3-one 2-(5-ethenyl-5-methyloxolan-2-yl)-6-methylhept-5-en-3-one 30810-99-2 CC(C1CCC(C)(O1)C=C)C(=O)CC=C(C)C InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3 FJKKZNIYYVEYOL-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. Tetrahydrofurans Organic compounds Organoheterocyclic compounds Tetrahydrofurans Aliphatic heteromonocyclic compounds Dialkyl ethers Hydrocarbon derivatives Ketones Organic oxides Oxacyclic compounds Aliphatic heteromonocyclic compound Carbonyl group Dialkyl ether Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran logp 3.27 ALOGPS logs -3.89 ALOGPS solubility 3.08e-02 g/l ALOGPS logp 3.72 ChemAxon pka_strongest_acidic 15.99 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-(5-ethenyl-5-methyloxolan-2-yl)-6-methylhept-5-en-3-one ChemAxon average_mass 236.3499 ChemAxon mono_mass 236.177630012 ChemAxon smiles CC(C1CCC(C)(O1)C=C)C(=O)CC=C(C)C ChemAxon formula C15H24O2 ChemAxon inchi InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3 ChemAxon inchikey FJKKZNIYYVEYOL-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 71.83 ChemAxon polarizability 27.73 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24087 Specdb::CMs 162843 Specdb::MsMs 12458 Specdb::MsMs 12459 Specdb::MsMs 12460 Specdb::MsMs 19130 Specdb::MsMs 19131 Specdb::MsMs 19132 Specdb::MsMs 2787850 Specdb::MsMs 2787851 Specdb::MsMs 2787852 Specdb::MsMs 2918132 Specdb::MsMs 2918133 Specdb::MsMs 2918134 HMDB38178 #<Reference:0x000055ce30680fe8>