1.0 2010-04-08 22:05:38 UTC 2020-02-24 19:10:40 UTC FDB003052 2-Hexadecanone Isolated from hop oil (Humulus lupulus). 2-Hexadecanone is found in alcoholic beverages and fats and oils. 3-hexadecanone hexadecan-2-one Methyl tetradecyl ketone C16H32O 240.4247 240.245315646 hexadecan-2-one hexadecan-2-one 18787-63-8 CCCCCCCCCCCCCCC(C)=O InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3 XCXKZBWAKKPFCJ-UHFFFAOYSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide Oxygenated hydrocarbons logp 6.93 ALOGPS logs -6.32 ALOGPS solubility 1.16e-04 g/l ALOGPS melting_point Mp 43-43.5° logp 6.14 ChemAxon pka_strongest_acidic 19.64 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac hexadecan-2-one ChemAxon average_mass 240.4247 ChemAxon mono_mass 240.245315646 ChemAxon smiles CCCCCCCCCCCCCCC(C)=O ChemAxon formula C16H32O ChemAxon inchi InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3 ChemAxon inchikey XCXKZBWAKKPFCJ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 76.03 ChemAxon polarizability 33.28 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23331 Specdb::CMs 29179 Specdb::CMs 100586 Specdb::CMs 167546 Specdb::MsMs 12305 Specdb::MsMs 12306 Specdb::MsMs 12307 Specdb::MsMs 18977 Specdb::MsMs 18978 Specdb::MsMs 18979 Specdb::MsMs 2351326 Specdb::MsMs 2351327 Specdb::MsMs 2351328 Specdb::MsMs 2584028 Specdb::MsMs 2584029 Specdb::MsMs 2584030 HMDB31052 #<Reference:0x000055ce32268df0> Alcoholic beverages Unknown generic Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Fats and oils Unknown generic fruit fruity