1.0 2010-04-08 22:12:32 UTC 2015-07-20 23:31:09 UTC FDB016598 2-(5,8-Tetradecadienyl)cyclobutanone Detected in g-irradiated chicken, egg and papaya. Formed by dec. of linoleic acid triglycerides. Potential marker for g-irradiataion of food N-(4-Chlorophenyl)-N'-(6-methyl-2-pyridinyl)thiourea C18H30O 262.4302 262.229665582 2-[(5E,8E)-tetradeca-5,8-dien-1-yl]cyclobutan-1-one 2-[(5E,8E)-tetradeca-5,8-dien-1-yl]cyclobutan-1-one 152245-81-3 CCCCC\C=C\C\C=C\CCCCC1CCC1=O InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h6-7,9-10,17H,2-5,8,11-16H2,1H3/b7-6+,10-9+ DAVBRGLWAOXZKF-AVQMFFATSA-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 6.65 ALOGPS logs -6.37 ALOGPS solubility 1.11e-04 g/l ALOGPS logp 6.2 ChemAxon pka_strongest_acidic 19.52 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 2-[(5E,8E)-tetradeca-5,8-dien-1-yl]cyclobutan-1-one ChemAxon average_mass 262.4302 ChemAxon mono_mass 262.229665582 ChemAxon smiles CCCCC\C=C\C\C=C\CCCCC1CCC1=O ChemAxon formula C18H30O ChemAxon inchi InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h6-7,9-10,17H,2-5,8,11-16H2,1H3/b7-6+,10-9+ ChemAxon inchikey DAVBRGLWAOXZKF-AVQMFFATSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 85.67 ChemAxon polarizability 34.79 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16804 Specdb::CMs 173478 Specdb::MsMs 64272 Specdb::MsMs 64273 Specdb::MsMs 64274 Specdb::MsMs 121383 Specdb::MsMs 121384 Specdb::MsMs 121385 Specdb::MsMs 2314595 Specdb::MsMs 2314596 Specdb::MsMs 2314597 Specdb::MsMs 2621531 Specdb::MsMs 2621532 Specdb::MsMs 2621533 HMDB37519 #<Reference:0x000055ce321ba6d8>