1.0 2010-04-08 22:05:53 UTC 2025-11-18 22:53:16 UTC FDB003633 Heptadecanone Heptadecanone 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. Heptadecanone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Heptadecanone can be found in soft-necked garlic, which makes heptadecanone a potential biomarker for the consumption of this food product. 7-Heptadecanone C17H34O 254.4513 254.26096571 heptadecan-7-one heptadecan-7-one CCCCCCCCCCC(=O)CCCCCC InChI=1S/C17H34O/c1-3-5-7-9-10-11-12-14-16-17(18)15-13-8-6-4-2/h3-16H2,1-2H3 NFRKSAMCQGIGRC-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 7.33 ALOGPS logs -6.37 ALOGPS solubility 1.07e-04 g/l ALOGPS logp 6.84 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac heptadecan-7-one ChemAxon average_mass 254.4513 ChemAxon mono_mass 254.26096571 ChemAxon smiles CCCCCCCCCCC(=O)CCCCCC ChemAxon formula C17H34O ChemAxon inchi InChI=1S/C17H34O/c1-3-5-7-9-10-11-12-14-16-17(18)15-13-8-6-4-2/h3-16H2,1-2H3 ChemAxon inchikey NFRKSAMCQGIGRC-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 80.66 ChemAxon polarizability 35.24 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72114 Specdb::MsMs 72115 Specdb::MsMs 72116 Specdb::MsMs 130935 Specdb::MsMs 130936 Specdb::MsMs 130937 Specdb::MsMs 3599285 Specdb::MsMs 3599286 Specdb::MsMs 3599287 Specdb::MsMs 3599288 Specdb::MsMs 3599289 Specdb::MsMs 3599290 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682