1.0 2010-04-08 22:09:31 UTC 2019-11-26 03:04:40 UTC FDB011202 15-Nonacosanone Isolated from cabbage leaves (Brassica oleracea). 15-Nonacosanone is found in brassicas. Dimyristyl ketone Ditetradecyl ketone Nonacosan-15-one C29H58O 422.7702 422.448766478 nonacosan-15-one nonacosan-15-one 2764-73-0 CCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCC InChI=1S/C29H58O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3 FVKQALGTGOKSSK-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 10.48 ALOGPS logs -7.53 ALOGPS solubility 1.25e-05 g/l ALOGPS melting_point Mp 80.5-81° logp 12.18 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac nonacosan-15-one ChemAxon average_mass 422.7702 ChemAxon mono_mass 422.448766478 ChemAxon smiles CCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCC ChemAxon formula C29H58O ChemAxon inchi InChI=1S/C29H58O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3 ChemAxon inchikey FVKQALGTGOKSSK-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 135.87 ChemAxon polarizability 60.92 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15996 Specdb::CMs 156565 Specdb::MsMs 70515 Specdb::MsMs 70516 Specdb::MsMs 70517 Specdb::MsMs 129030 Specdb::MsMs 129031 Specdb::MsMs 129032 Specdb::MsMs 3042313 Specdb::MsMs 3042314 Specdb::MsMs 3042315 Specdb::MsMs 3098659 Specdb::MsMs 3098660 Specdb::MsMs 3098661 HMDB33190 #<Reference:0x000055ce30d864a0> Brassicas Unknown generic 3705