1.0 2010-04-08 22:12:23 UTC 2025-11-19 01:46:28 UTC FDB016345 Achimilic acid Isolated from Achillea millefolium (yarrow). Achimilic acid is found in herbs and spices. 3-[(2-Hydroxy-2-methyl-5-oxo-3-cyclopenten-1-ylidene)methyl]-2-methylene-6-oxoheptanoic acid, 9CI C15H18O5 278.3004 278.115423686 3-{[(1Z)-2-hydroxy-2-methyl-5-oxocyclopent-3-en-1-ylidene]methyl}-2-methylidene-6-oxoheptanoic acid 3-{[(1Z)-2-hydroxy-2-methyl-5-oxocyclopent-3-en-1-ylidene]methyl}-2-methylidene-6-oxoheptanoic acid 110732-04-2 CC(=O)CCC(\C=C1/C(=O)C=CC1(C)O)C(=C)C(O)=O InChI=1S/C15H18O5/c1-9(16)4-5-11(10(2)14(18)19)8-12-13(17)6-7-15(12,3)20/h6-8,11,20H,2,4-5H2,1,3H3,(H,18,19)/b12-8+ ARZDSTJTDVJYCF-XYOKQWHBSA-N belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain. Medium-chain keto acids and derivatives Organic compounds Organic acids and derivatives Keto acids and derivatives Medium-chain keto acids and derivatives Aliphatic homomonocyclic compounds Branched fatty acids Carboxylic acids Cyclic ketones Hydrocarbon derivatives Hydroxy fatty acids Monocarboxylic acids and derivatives Organic oxides Tertiary alcohols Unsaturated fatty acids Alcohol Aliphatic homomonocyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic ketone Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Ketone Medium-chain keto acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Tertiary alcohol Unsaturated fatty acid logp 1.24 ALOGPS logs -2.65 ALOGPS solubility 6.22e-01 g/l ALOGPS logp 1.29 ChemAxon pka_strongest_acidic 4.45 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 3-{[(1Z)-2-hydroxy-2-methyl-5-oxocyclopent-3-en-1-ylidene]methyl}-2-methylidene-6-oxoheptanoic acid ChemAxon average_mass 278.3004 ChemAxon mono_mass 278.115423686 ChemAxon smiles CC(=O)CCC(\C=C1/C(=O)C=CC1(C)O)C(=C)C(O)=O ChemAxon formula C15H18O5 ChemAxon inchi InChI=1S/C15H18O5/c1-9(16)4-5-11(10(2)14(18)19)8-12-13(17)6-7-15(12,3)20/h6-8,11,20H,2,4-5H2,1,3H3,(H,18,19)/b12-8+ ChemAxon inchikey ARZDSTJTDVJYCF-XYOKQWHBSA-N ChemAxon polar_surface_area 91.67 ChemAxon refractivity 75 ChemAxon polarizability 28.39 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26268 Specdb::CMs 45317 Specdb::CMs 136598 Specdb::CMs 144332 Specdb::MsMs 50256 Specdb::MsMs 50257 Specdb::MsMs 50258 Specdb::MsMs 152793 Specdb::MsMs 152794 Specdb::MsMs 152795 Specdb::MsMs 2678950 Specdb::MsMs 2678951 Specdb::MsMs 2678952 Specdb::MsMs 3030482 Specdb::MsMs 3030483 Specdb::MsMs 3030484 HMDB0037325 Herbs and Spices Unknown generic