1.0 2010-04-08 22:11:16 UTC 2019-11-26 03:10:03 UTC FDB014437 Epoxyartemisia ketone Constituent of Artemisia vulgaris (mugwort). Epoxyartemisia ketone is found in mugwort. 1-(3,3-Dimethyloxiranyl)-2,2-dimethyl-3-buten-1-one-epoxyartemisia ketone 1-(3,3-Dimethyloxiranyl)-2,2-dimethyl-3-buten-1-one, 9CI 5,6-Epoxy-3,3,6-trimethyl-1-hepten-4-one Epoxyartemisia ketone C10H16O2 168.2328 168.115029756 1-(3,3-dimethyloxiran-2-yl)-2,2-dimethylbut-3-en-1-one 1-(3,3-dimethyloxiran-2-yl)-2,2-dimethylbut-3-en-1-one 79507-83-8 CC(C)(C=C)C(=O)C1OC1(C)C InChI=1S/C10H16O2/c1-6-9(2,3)7(11)8-10(4,5)12-8/h6,8H,1H2,2-5H3 VDWHYKNCKVKWIG-UHFFFAOYSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic heteromonocyclic compounds Dialkyl ethers Epoxides Hydrocarbon derivatives Organic oxides Oxacyclic compounds Aliphatic heteromonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Ketone Organic oxide Organoheterocyclic compound Oxacycle Oxirane logp 2.24 ALOGPS logs -2.48 ALOGPS solubility 5.53e-01 g/l ALOGPS logp 2.61 ChemAxon pka_strongest_acidic 19.77 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 1-(3,3-dimethyloxiran-2-yl)-2,2-dimethylbut-3-en-1-one ChemAxon average_mass 168.2328 ChemAxon mono_mass 168.115029756 ChemAxon smiles CC(C)(C=C)C(=O)C1OC1(C)C ChemAxon formula C10H16O2 ChemAxon inchi InChI=1S/C10H16O2/c1-6-9(2,3)7(11)8-10(4,5)12-8/h6,8H,1H2,2-5H3 ChemAxon inchikey VDWHYKNCKVKWIG-UHFFFAOYSA-N ChemAxon polar_surface_area 29.6 ChemAxon refractivity 47.83 ChemAxon polarizability 18.85 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26535 Specdb::CMs 173772 Specdb::MsIr 6966 Specdb::MsIr 6967 Specdb::MsMs 6704 Specdb::MsMs 6705 Specdb::MsMs 6706 Specdb::MsMs 13376 Specdb::MsMs 13377 Specdb::MsMs 13378 Specdb::MsMs 2462221 Specdb::MsMs 2462222 Specdb::MsMs 2462223 Specdb::MsMs 2500286 Specdb::MsMs 2500287 Specdb::MsMs 2500288 HMDB35714 #<Reference:0x000055ce3220f160> Mugwort Type 1 specific Artemisia vulgaris 4220