1.0 2016-09-30 22:54:15 UTC 2020-04-22 15:10:41 UTC BMDB0002337 BMDB02337 Homophytanic acid Homophytanate 4,8,12,16-Tetramethylheptadecanoate 4,8,12,16-Tetramethylheptadecanoic acid 4,8,12,16-Tetramethylheptadecanoic acid 4,8,12,16-tetramethylheptadecanoate 4,8,12,16-Tetramethylheptadecanoic acid 4,8,12,16-tetramethylheptadecanoic acid 4,8,12,16-Tetramethylheptanoic acid THMD C21H42O2 326.557 326.318480588 4,8,12,16-tetramethylheptadecanoic acid THMD 10339-79-4 CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(O)=O InChI=1S/C21H42O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21(22)23/h17-20H,6-16H2,1-5H3,(H,22,23) ORMFWDWAJNERRN-UHFFFAOYSA-N belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Acyclic diterpenoids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Long-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Acyclic diterpenoid Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative 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 Aliphatic acyclic compounds Vitamin E Solid logp 7.61 ALOGPS logs -6.78 ALOGPS logp 7.85 ChemAxon pka_strongest_acidic 5.04 ChemAxon iupac 4,8,12,16-tetramethylheptadecanoic acid ChemAxon average_mass 326.557 ChemAxon mono_mass 326.318480588 ChemAxon smiles CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(O)=O ChemAxon formula C21H42O2 ChemAxon inchi InChI=1S/C21H42O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21(22)23/h17-20H,6-16H2,1-5H3,(H,22,23) ChemAxon inchikey ORMFWDWAJNERRN-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 99.88 ChemAxon polarizability 43.12 ChemAxon rotatable_bond_count 15 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 15729 Specdb::CMs 38373 Specdb::CMs 174648 Specdb::MsMs 300877 Specdb::MsMs 300878 Specdb::MsMs 300879 Specdb::MsMs 343255 Specdb::MsMs 343256 Specdb::MsMs 343257 Specdb::MsMs 2780689 Specdb::MsMs 2780690 Specdb::MsMs 2780691 Specdb::MsMs 2924329 Specdb::MsMs 2924330 Specdb::MsMs 2924331 2338414 FDB022968 3080668 6630