1.0 2010-04-08 22:12:32 UTC 2018-05-29 01:27:16 UTC FDB016596 2-Tetradecylcyclobutanone Marker for g-irradiation of foodstuffs especies eggs; formed by dec. of stearic acid triglycerides 2-TCB C18H34O 266.462 266.26096571 2-tetradecylcyclobutan-1-one 2-tetradecylcyclobutan-1-one 35493-47-1 CCCCCCCCCCCCCCC1CCC1=O InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h17H,2-16H2,1H3 HTZLOIBLMXPDGR-UHFFFAOYSA-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 7.60 ALOGPS logs -6.63 ALOGPS solubility 6.20e-05 g/l ALOGPS logp 6.92 ChemAxon pka_strongest_acidic 19.52 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 2-tetradecylcyclobutan-1-one ChemAxon average_mass 266.462 ChemAxon mono_mass 266.26096571 ChemAxon smiles CCCCCCCCCCCCCCC1CCC1=O ChemAxon formula C18H34O ChemAxon inchi InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h17H,2-16H2,1H3 ChemAxon inchikey HTZLOIBLMXPDGR-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 83.43 ChemAxon polarizability 36.65 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9379 Specdb::CMs 175345 Specdb::MsMs 91194 Specdb::MsMs 91195 Specdb::MsMs 91196 Specdb::MsMs 154530 Specdb::MsMs 154531 Specdb::MsMs 154532 Specdb::MsMs 2692172 Specdb::MsMs 2692173 Specdb::MsMs 2692174 Specdb::MsMs 2990210 Specdb::MsMs 2990211 Specdb::MsMs 2990212 HMDB37517 #<Reference:0x000055ce30d04450>