1.0 2010-04-08 22:11:33 UTC 2019-11-26 03:10:59 UTC FDB014938 Isoegomaketone Constituent of the seeds of Perilla frutescens (perilla). Isoegomaketone is found in fats and oils and herbs and spices. 1-(3-Furanyl)-4-methyl-2-penten-1-one 1-(3-Furanyl)-4-methyl-2-penten-1-one, 9CI 2-Penten-1-one, 1-(3-furanyl)-4-methyl- C10H12O2 164.2011 164.083729628 (2E)-1-(furan-3-yl)-4-methylpent-2-en-1-one (2E)-1-(furan-3-yl)-4-methylpent-2-en-1-one 34348-59-9 CC(C)\C=C\C(=O)C1=COC=C1 InChI=1S/C10H12O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h3-8H,1-2H3/b4-3+ XEYCZVQIOJGCNL-ONEGZZNKSA-N belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group. Aryl ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds Acryloyl compounds Enones Furans Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Acryloyl-group Alpha,beta-unsaturated ketone Aromatic heteromonocyclic compound Aryl ketone Enone Furan Heteroaromatic compound Hydrocarbon derivative Organic oxide Organoheterocyclic compound Oxacycle logp 2.48 ALOGPS logs -3.15 ALOGPS solubility 1.16e-01 g/l ALOGPS logp 2.55 ChemAxon pka_strongest_acidic 16.23 ChemAxon pka_strongest_basic -4 ChemAxon iupac (2E)-1-(furan-3-yl)-4-methylpent-2-en-1-one ChemAxon average_mass 164.2011 ChemAxon mono_mass 164.083729628 ChemAxon smiles CC(C)\C=C\C(=O)C1=COC=C1 ChemAxon formula C10H12O2 ChemAxon inchi InChI=1S/C10H12O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h3-8H,1-2H3/b4-3+ ChemAxon inchikey XEYCZVQIOJGCNL-ONEGZZNKSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 48.44 ChemAxon polarizability 18.14 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21228 Specdb::CMs 137838 Specdb::CMs 145572 Specdb::MsIr 7090 Specdb::MsIr 7091 Specdb::MsMs 73764 Specdb::MsMs 73765 Specdb::MsMs 73766 Specdb::MsMs 133002 Specdb::MsMs 133003 Specdb::MsMs 133004 Specdb::MsMs 2340603 Specdb::MsMs 2340604 Specdb::MsMs 2340605 Specdb::MsMs 2625371 Specdb::MsMs 2625372 Specdb::MsMs 2625373 HMDB36098 #<Reference:0x000055ce32237e30> Fats and oils Unknown generic Herbs and Spices Unknown generic