1.0 2010-04-08 22:05:09 UTC 2025-11-18 22:33:22 UTC FDB001876 Tritriacontan-14-one Tritriacontan-14-one is a member of the class of compounds known as ketones. Ketones 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. Tritriacontan-14-one is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Tritriacontan-14-one can be found in potato, which makes tritriacontan-14-one a potential biomarker for the consumption of this food product. 14-Tritriacontanone C33H66O 478.8765 478.511366734 tritriacontan-14-one tritriacontan-14-one 874748-79-5 CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC InChI=1S/C33H66O/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-33(34)31-29-27-25-23-21-14-12-10-8-6-4-2/h3-32H2,1-2H3 WRWSTHSCCMVQFG-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 logp 10.85 ALOGPS logs -7.63 ALOGPS solubility 1.11e-05 g/l ALOGPS logp 13.96 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac tritriacontan-14-one ChemAxon average_mass 478.8765 ChemAxon mono_mass 478.511366734 ChemAxon smiles CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC ChemAxon formula C33H66O ChemAxon inchi InChI=1S/C33H66O/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-33(34)31-29-27-25-23-21-14-12-10-8-6-4-2/h3-32H2,1-2H3 ChemAxon inchikey WRWSTHSCCMVQFG-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 154.28 ChemAxon polarizability 69.6 ChemAxon rotatable_bond_count 30 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 58704 Specdb::MsMs 58705 Specdb::MsMs 58706 Specdb::MsMs 114696 Specdb::MsMs 114697 Specdb::MsMs 114698 Specdb::MsMs 3598873 Specdb::MsMs 3598874 Specdb::MsMs 3598875 Specdb::MsMs 3598876 Specdb::MsMs 3598877 Specdb::MsMs 3598878 Potato Type 1 specific Solanum tuberosum 4113