1.0 2016-09-30 23:07:48 UTC 2020-04-22 15:13:17 UTC BMDB0004085 BMDB04085 Tuberculostearic acid 10-Methyloctadecanoic acid 10-Methylstearic acid 10-Methyloctadecanoate 10-Methylstearate Tuberculostearate 10-Methyl-octadecanoate 10-Methyl-octadecanoic acid L-(+)-Tuberculostearic acid Tuberculostearic acid C19H38O2 298.5038 298.28718046 10-methyloctadecanoic acid tuberculostearic acid 542-47-2 CCCCCCCCC(C)CCCCCCCCC(O)=O InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21) BEOUGZFCUMNGOU-UHFFFAOYSA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Long-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Long-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds long-chain fatty acid methyl-branched fatty acid Solid logp 8.33 ALOGPS logs -6.69 ALOGPS logp 7.43 ChemAxon pka_strongest_acidic 4.95 ChemAxon iupac 10-methyloctadecanoic acid ChemAxon average_mass 298.5038 ChemAxon mono_mass 298.28718046 ChemAxon smiles CCCCCCCCC(C)CCCCCCCCC(O)=O ChemAxon formula C19H38O2 ChemAxon inchi InChI=1S/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,20,21) ChemAxon inchikey BEOUGZFCUMNGOU-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 90.83 ChemAxon polarizability 40.17 ChemAxon rotatable_bond_count 16 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 19364 Specdb::CMs 38710 Specdb::CMs 116658 Specdb::CMs 165741 Specdb::CMs 809297 Specdb::MsMs 10010 Specdb::MsMs 10011 Specdb::MsMs 10012 Specdb::MsMs 16682 Specdb::MsMs 16683 Specdb::MsMs 16684 Specdb::MsMs 2407562 Specdb::MsMs 2407563 Specdb::MsMs 2407564 Specdb::MsMs 2531085 Specdb::MsMs 2531086 Specdb::MsMs 2531087 58549 65037 68565 FDB023306 C16794 Tuberculostearic acid