1.0 2010-04-08 22:12:33 UTC 2015-07-20 23:31:19 UTC FDB016625 (±)-(Z)-2-(5-Tetradecenyl)cyclobutanone Marker for g-irradiation of foodstuffs arising from degradation of oleic acid triglycerides C18H32O 264.4461 264.245315646 2-[(5Z)-tetradec-5-en-1-yl]cyclobutan-1-one 2-[(5Z)-tetradec-5-en-1-yl]cyclobutan-1-one 173074-85-6 CCCCCCCC\C=C/CCCCC1CCC1=O InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h9-10,17H,2-8,11-16H2,1H3/b10-9- ITFDRFJPWYWSMZ-KTKRTIGZSA-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 6.93 ALOGPS logs -6.58 ALOGPS solubility 6.96e-05 g/l ALOGPS melting_point Mp 25-26° logp 6.56 ChemAxon pka_strongest_acidic 19.52 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 2-[(5Z)-tetradec-5-en-1-yl]cyclobutan-1-one ChemAxon average_mass 264.4461 ChemAxon mono_mass 264.245315646 ChemAxon smiles CCCCCCCC\C=C/CCCCC1CCC1=O ChemAxon formula C18H32O ChemAxon inchi InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h9-10,17H,2-8,11-16H2,1H3/b10-9- ChemAxon inchikey ITFDRFJPWYWSMZ-KTKRTIGZSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 84.55 ChemAxon polarizability 35.06 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22450 Specdb::CMs 132884 Specdb::CMs 140618 Specdb::MsMs 80619 Specdb::MsMs 80620 Specdb::MsMs 80621 Specdb::MsMs 141534 Specdb::MsMs 141535 Specdb::MsMs 141536 Specdb::MsMs 2445511 Specdb::MsMs 2445512 Specdb::MsMs 2445513 Specdb::MsMs 2516877 Specdb::MsMs 2516878 Specdb::MsMs 2516879 HMDB37543 #<Reference:0x000055ce315ae150>