1.0 2010-04-08 22:05:46 UTC 2025-11-18 22:51:34 UTC FDB003377 2,3,7,11,15-Pentamethylhexadecanoic acid Isolated from the oil of the redfish (Sebastes species). 2,3,7,11,15-Pentamethylhexadecanoic acid is found in fishes. C21H42O2 326.557 326.318480588 2,3,7,11,15-pentamethylhexadecanoic acid 2,3,7,11,15-pentamethylhexadecanoic acid 122706-68-7 CC(C)CCCC(C)CCCC(C)CCCC(C)C(C)C(O)=O InChI=1S/C21H42O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-19(5)20(6)21(22)23/h16-20H,7-15H2,1-6H3,(H,22,23) JQTZSEREVATIFK-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. Acyclic diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic acyclic compounds 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 logp 7.49 ALOGPS logs -6.69 ALOGPS solubility 6.75e-05 g/l ALOGPS logp 7.95 ChemAxon pka_strongest_acidic 5.03 ChemAxon iupac 2,3,7,11,15-pentamethylhexadecanoic acid ChemAxon average_mass 326.557 ChemAxon mono_mass 326.318480588 ChemAxon smiles CC(C)CCCC(C)CCCC(C)CCCC(C)C(C)C(O)=O ChemAxon formula C21H42O2 ChemAxon inchi InChI=1S/C21H42O2/c1-16(2)10-7-11-17(3)12-8-13-18(4)14-9-15-19(5)20(6)21(22)23/h16-20H,7-15H2,1-6H3,(H,22,23) ChemAxon inchikey JQTZSEREVATIFK-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 99.85 ChemAxon polarizability 43.03 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9462 Specdb::CMs 42433 Specdb::CMs 151518 Specdb::MsMs 87960 Specdb::MsMs 87961 Specdb::MsMs 87962 Specdb::MsMs 150585 Specdb::MsMs 150586 Specdb::MsMs 150587 Specdb::MsMs 2701228 Specdb::MsMs 2701229 Specdb::MsMs 2701230 Specdb::MsMs 3007370 Specdb::MsMs 3007371 Specdb::MsMs 3007372 HMDB31319 #<Reference:0x000055ce2f4ecb88> Fishes Unknown generic