1.0 2010-04-08 22:13:21 UTC 2019-11-26 03:15:20 UTC FDB017851 Auxin a Claimed to have been isolated from peanut oil and corn oil. Auxin a is found in cereals and cereal products and nuts. C18H32O5 328.4437 328.224974134 5-[3,5-bis(butan-2-yl)cyclopent-1-en-1-yl]-2,3,5-trihydroxypentanoic acid 5-[3,5-bis(sec-butyl)cyclopent-1-en-1-yl]-2,3,5-trihydroxypentanoic acid CCC(C)C1CC(C(C)CC)C(=C1)C(O)CC(O)C(O)C(O)=O InChI=1S/C18H32O5/c1-5-10(3)12-7-13(11(4)6-2)14(8-12)15(19)9-16(20)17(21)18(22)23/h8,10-13,15-17,19-21H,5-7,9H2,1-4H3,(H,22,23) RKOUCPMGBBKLNK-UHFFFAOYSA-N belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain. Monocyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Alpha hydroxy acids and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Medium-chain hydroxy acids and derivatives Monocarboxylic acids and derivatives Monosaccharides Organic oxides Polyols Secondary alcohols Alcohol Aliphatic homomonocyclic compound Alpha-hydroxy acid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acyl Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Medium-chain fatty acid Medium-chain hydroxy acid Monocarboxylic acid or derivatives Monocyclic monoterpenoid Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Polyol Secondary alcohol logp 3.00 ALOGPS logs -2.81 ALOGPS solubility 5.06e-01 g/l ALOGPS melting_point Mp 196° logp 2.24 ChemAxon pka_strongest_acidic 3.79 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5-[3,5-bis(butan-2-yl)cyclopent-1-en-1-yl]-2,3,5-trihydroxypentanoic acid ChemAxon average_mass 328.4437 ChemAxon mono_mass 328.224974134 ChemAxon smiles CCC(C)C1CC(C(C)CC)C(=C1)C(O)CC(O)C(O)C(O)=O ChemAxon formula C18H32O5 ChemAxon inchi InChI=1S/C18H32O5/c1-5-10(3)12-7-13(11(4)6-2)14(8-12)15(19)9-16(20)17(21)18(22)23/h8,10-13,15-17,19-21H,5-7,9H2,1-4H3,(H,22,23) ChemAxon inchikey RKOUCPMGBBKLNK-UHFFFAOYSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 89.4 ChemAxon polarizability 36.44 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25577 Specdb::CMs 45851 Specdb::CMs 162867 Specdb::MsMs 51693 Specdb::MsMs 51694 Specdb::MsMs 51695 Specdb::MsMs 166233 Specdb::MsMs 166234 Specdb::MsMs 166235 Specdb::MsMs 2761330 Specdb::MsMs 2761331 Specdb::MsMs 2761332 Specdb::MsMs 2945208 Specdb::MsMs 2945209 Specdb::MsMs 2945210 HMDB38483 #<Reference:0x000055ce32c91700> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Nuts Unknown generic