1.0 2016-09-30 22:32:15 UTC 2020-03-13 16:21:53 UTC BMDB0000529 BMDB00529 5-Dodecenoic acid 5-Dodecenoic acid, also known as 5-dodecenoate, belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 5-Dodecenoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 5-Dodecenoate 5-Dodecenoic acid 5-Dodecenoic acid, (e)-isomer 5E-Dodecenoate C12H22O2 198.306 198.161979948 (5E)-dodec-5-enoic acid 5-dodecenoic acid [H]\C(CCCCCC)=C(\[H])CCCC(O)=O InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7+ IJBFSOLHRKELLR-BQYQJAHWSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Medium-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid Aliphatic acyclic compounds Unsaturated fatty acids Solid logp 4.76 ALOGPS logs -4.14 ALOGPS logp 4.12 ChemAxon pka_strongest_acidic 4.89 ChemAxon iupac (5E)-dodec-5-enoic acid ChemAxon average_mass 198.306 ChemAxon mono_mass 198.161979948 ChemAxon smiles [H]\C(CCCCCC)=C(\[H])CCCC(O)=O ChemAxon formula C12H22O2 ChemAxon inchi InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7+ ChemAxon inchikey IJBFSOLHRKELLR-BQYQJAHWSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 59.8 ChemAxon polarizability 24.9 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 1260550 Specdb::MsMs 1260551 Specdb::MsMs 1260552 Specdb::MsMs 1375675 Specdb::MsMs 1375676 Specdb::MsMs 1375677 Milk Kurt J. Boudonck, Matthew W. Mitchell, Jacob Wulff, John A. Ryals. Characterization of the biochemical variability of bovine milk using metabolomics. Metabolomics (2009) 5:375-386 doi: 10.1007/s11306-009-0160-8 5312377 Rock, Charles O.; Garwin, Jeffrey L.; Cronan, John E., Jr. Preparative enzymic synthesis of acyl-acyl carrier protein. Methods in Enzymology (1981), 72(Lipids, Part D), 397-403. Kurt J. Boudonck, Matthew W. Mitchell, Jacob Wulff, John A. Ryals. Characterization of the biochemical variability of bovine milk using metabolomics. Metabolomics (2009) 5:375-386 doi: 10.1007/s11306-009-0160-8