1.0 2010-04-08 22:13:40 UTC 2015-07-21 06:27:23 UTC FDB018360 (E)-2-(2-Octenyl)cyclopentanone Flavouring ingredient FEMA 3889 C13H22O 194.3132 194.167065326 2-[(2E)-oct-2-en-1-yl]cyclopentan-1-one 2-[(2E)-oct-2-en-1-yl]cyclopentan-1-one 98314-98-8 CCCCC\C=C\CC1CCCC1=O InChI=1S/C13H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h6-7,12H,2-5,8-11H2,1H3/b7-6+ QHEUOYOHVATZEB-VOTSOKGWSA-N belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. Cyclic ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homomonocyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Cyclic ketone Hydrocarbon derivative Organic oxide logp 4.67 ALOGPS logs -4.56 ALOGPS solubility 5.35e-03 g/l ALOGPS logp 4.34 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 2-[(2E)-oct-2-en-1-yl]cyclopentan-1-one ChemAxon average_mass 194.3132 ChemAxon mono_mass 194.167065326 ChemAxon smiles CCCCC\C=C\CC1CCCC1=O ChemAxon formula C13H22O ChemAxon inchi InChI=1S/C13H22O/c1-2-3-4-5-6-7-9-12-10-8-11-13(12)14/h6-7,12H,2-5,8-11H2,1H3/b7-6+ ChemAxon inchikey QHEUOYOHVATZEB-VOTSOKGWSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 61.54 ChemAxon polarizability 24.81 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8049 Specdb::MsIr 8050 Specdb::CMs 23007 Specdb::CMs 175368 Specdb::MsMs 56082 Specdb::MsMs 56083 Specdb::MsMs 56084 Specdb::MsMs 111420 Specdb::MsMs 111421 Specdb::MsMs 111422 Specdb::MsMs 2758170 Specdb::MsMs 2758171 Specdb::MsMs 2758172 Specdb::MsMs 2950140 Specdb::MsMs 2950141 Specdb::MsMs 2950142 HMDB38897 #<Reference:0x000055ce3241fd60> fatty fruity green jasmin peach