1.0 2010-04-08 22:05:54 UTC 2025-11-18 22:53:23 UTC FDB003657 Pentadecanone Pentadecanone 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. Pentadecanone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Pentadecanone can be found in soft-necked garlic, which makes pentadecanone a potential biomarker for the consumption of this food product. 7-Pentadecanone C15H30O 226.3981 226.229665582 pentadecan-7-one pentadecan-7-one CCCCCCCCC(=O)CCCCCC InChI=1S/C15H30O/c1-3-5-7-9-10-12-14-15(16)13-11-8-6-4-2/h3-14H2,1-2H3 VUXXXYMMZBAUSE-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 6.11 ALOGPS logs -5.82 ALOGPS solubility 3.46e-04 g/l ALOGPS logp 5.95 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac pentadecan-7-one ChemAxon average_mass 226.3981 ChemAxon mono_mass 226.229665582 ChemAxon smiles CCCCCCCCC(=O)CCCCCC ChemAxon formula C15H30O ChemAxon inchi InChI=1S/C15H30O/c1-3-5-7-9-10-12-14-15(16)13-11-8-6-4-2/h3-14H2,1-2H3 ChemAxon inchikey VUXXXYMMZBAUSE-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 71.46 ChemAxon polarizability 30.98 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 82482 Specdb::MsMs 82483 Specdb::MsMs 82484 Specdb::MsMs 143859 Specdb::MsMs 143860 Specdb::MsMs 143861 Specdb::MsMs 3599336 Specdb::MsMs 3599337 Specdb::MsMs 3599338 Specdb::MsMs 3599339 Specdb::MsMs 3599340 Specdb::MsMs 3599341 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682