1.0 2016-09-30 22:55:06 UTC 2020-04-22 15:10:56 UTC BMDB0002396 BMDB02396 Trimethyltridecanoic acid 4,8,12-TMTD 4,8,12-Tri-me 13:0 4,8,12-Tri-me C13:0 4,8,12-Trimethyldecylic acid Trimethyldecanoic acid 4,8,12-Trimethyldecylate Trimethyldecanoate Trimethyltridecanoate 4,8,12-Trimethyl-tridecanoate 4,8,12-Trimethyl-tridecanoic acid 4,8,12-Trimethyltridecanoate 4,8,12-Trimethyltridecanoic acid C16H32O2 256.4241 256.240230268 4,8,12-trimethyltridecanoic acid trimethyltridecanoic acid 10339-73-8 CC(C)CCCC(C)CCCC(C)CCC(O)=O InChI=1S/C16H32O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h13-15H,5-12H2,1-4H3,(H,17,18) FUYCAQNCWDAOLQ-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Sesquiterpenoids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Long-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Farsesane sesquiterpenoid Fatty acid Fatty acyl Hydrocarbon derivative Long-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid Aliphatic acyclic compounds Branched fatty acids long-chain fatty acid methyl-branched fatty acid Solid logp 5.94 ALOGPS logs -5.70 ALOGPS logp 5.78 ChemAxon pka_strongest_acidic 5.04 ChemAxon iupac 4,8,12-trimethyltridecanoic acid ChemAxon average_mass 256.4241 ChemAxon mono_mass 256.240230268 ChemAxon smiles CC(C)CCCC(C)CCCC(C)CCC(O)=O ChemAxon formula C16H32O2 ChemAxon inchi InChI=1S/C16H32O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h13-15H,5-12H2,1-4H3,(H,17,18) ChemAxon inchikey FUYCAQNCWDAOLQ-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 76.93 ChemAxon polarizability 33.09 ChemAxon rotatable_bond_count 11 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 18365 Specdb::CMs 38410 Specdb::CMs 163680 Specdb::MsMs 10715 Specdb::MsMs 10716 Specdb::MsMs 10717 Specdb::MsMs 17387 Specdb::MsMs 17388 Specdb::MsMs 17389 Specdb::MsMs 2358045 Specdb::MsMs 2358046 Specdb::MsMs 2358047 Specdb::MsMs 2604494 Specdb::MsMs 2604495 Specdb::MsMs 2604496 FDB022994 133527 58966 151503 Spath, Ernst; Kesztler, Friedrich. Natural coumarins. XXXI. Constitution of ammoresinol. Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen (1937), 70B 1255-8.