1.0 2010-04-08 22:07:28 UTC 2025-11-18 23:04:09 UTC FDB007153 Tritriacontanone Tritriacontanone 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. Tritriacontanone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Tritriacontanone can be found in potato, which makes tritriacontanone a potential biomarker for the consumption of this food product. 2-tritriacontanone C33H66O 478.8765 478.511366734 tritriacontan-2-one tritriacontan-2-one CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)=O InChI=1S/C33H66O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(2)34/h3-32H2,1-2H3 NJPSQBXYMKTWBI-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 a ketone logp 10.77 ALOGPS logs -7.70 ALOGPS solubility 9.59e-06 g/l ALOGPS logp 13.7 ChemAxon pka_strongest_acidic 19.64 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac tritriacontan-2-one ChemAxon average_mass 478.8765 ChemAxon mono_mass 478.511366734 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)=O ChemAxon formula C33H66O ChemAxon inchi InChI=1S/C33H66O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33(2)34/h3-32H2,1-2H3 ChemAxon inchikey NJPSQBXYMKTWBI-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 154.25 ChemAxon polarizability 69.84 ChemAxon rotatable_bond_count 30 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 108738 Specdb::MsMs 108739 Specdb::MsMs 108740 Specdb::MsMs 176034 Specdb::MsMs 176035 Specdb::MsMs 176036 Specdb::MsMs 3603728 Specdb::MsMs 3603729 Specdb::MsMs 3603730 Specdb::MsMs 3603731 Specdb::MsMs 3603732 Specdb::MsMs 3603733 Potato Type 1 specific Solanum tuberosum 4113