1.0 2016-09-30 22:52:57 UTC 2020-04-22 15:10:17 UTC BMDB0002230 BMDB02230 Nonacosanoic acid Nonacosylic acid Nonacosylate Nonacosanoate N-Nonacosanoate N-Nonacosanoic acid C29H58O2 438.7696 438.4436811 nonacosanoic acid nonacosanoic acid 4250-38-8 CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O InChI=1S/C29H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-28H2,1H3,(H,30,31) IHEJEKZAKSNRLY-UHFFFAOYSA-N belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Very long-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Very long-chain fatty acid Aliphatic acyclic compounds Straight chain fatty acids straight-chain saturated fatty acid very long-chain fatty acid Solid logp 10.21 ALOGPS logs -7.49 ALOGPS logp 12.04 ChemAxon pka_strongest_acidic 4.95 ChemAxon iupac nonacosanoic acid ChemAxon average_mass 438.7696 ChemAxon mono_mass 438.4436811 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O ChemAxon formula C29H58O2 ChemAxon inchi InChI=1S/C29H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-28H2,1H3,(H,30,31) ChemAxon inchikey IHEJEKZAKSNRLY-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 136.9 ChemAxon polarizability 62.27 ChemAxon rotatable_bond_count 27 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 2269 Specdb::CMs 25234 Specdb::CMs 31403 Specdb::CMs 38331 Specdb::CMs 155712 Specdb::MsMs 54522 Specdb::MsMs 54523 Specdb::MsMs 54524 Specdb::MsMs 133851 Specdb::MsMs 133852 Specdb::MsMs 133853 Specdb::MsMs 3043204 Specdb::MsMs 3043205 Specdb::MsMs 3043206 Specdb::MsMs 3097828 Specdb::MsMs 3097829 Specdb::MsMs 3097830 19071 FDB007126 20245 C00037560 84867 Nonacosylic_acid 4214 CPD-8510 Buchta, Emil; Huhn, Christian. Synthesis of long-chain carboxylic acids using vinyl carbalkoxy-alkyl ketones. VI. Arachic acid and nonacosanoic acid. Justus Liebigs Annalen der Chemie (1965), 687 161-0.