1.0 2010-04-08 22:05:40 UTC 2019-11-26 02:58:31 UTC FDB003138 5-Hexyltetrahydro-2-furanoctanoic acid Present in heat-treated soybean oil. 5-Hexyltetrahydro-2-furanoctanoic acid is found in fats and oils and pulses. 9,12-Epoxyoctadecanoic acid C18H34O3 298.4608 298.250794954 8-(5-hexyloxolan-2-yl)octanoic acid 8-(5-hexyloxolan-2-yl)octanoic acid 61781-98-4 CCCCCCC1CCC(CCCCCCCC(O)=O)O1 InChI=1S/C18H34O3/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h16-17H,2-15H2,1H3,(H,19,20) AQIVDANQKWQSRX-UHFFFAOYSA-N belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Prostaglandins and related compounds Organic compounds Lipids and lipid-like molecules Fatty Acyls Eicosanoids Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acids Dialkyl ethers Heterocyclic fatty acids Hydrocarbon derivatives Medium-chain fatty acids Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Ether Fatty acid Heterocyclic fatty acid Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Prostaglandin skeleton Tetrahydrofuran logp 6.04 ALOGPS logs -5.88 ALOGPS solubility 3.97e-04 g/l ALOGPS logp 5.53 ChemAxon pka_strongest_acidic 4.62 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 8-(5-hexyloxolan-2-yl)octanoic acid ChemAxon average_mass 298.4608 ChemAxon mono_mass 298.250794954 ChemAxon smiles CCCCCCC1CCC(CCCCCCCC(O)=O)O1 ChemAxon formula C18H34O3 ChemAxon inchi InChI=1S/C18H34O3/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h16-17H,2-15H2,1H3,(H,19,20) ChemAxon inchikey AQIVDANQKWQSRX-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 86.11 ChemAxon polarizability 37.82 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10293 Specdb::CMs 42362 Specdb::CMs 148211 Specdb::MsMs 82254 Specdb::MsMs 82255 Specdb::MsMs 82256 Specdb::MsMs 143568 Specdb::MsMs 143569 Specdb::MsMs 143570 Specdb::MsMs 2685228 Specdb::MsMs 2685229 Specdb::MsMs 2685230 Specdb::MsMs 3023457 Specdb::MsMs 3023458 Specdb::MsMs 3023459 HMDB31127 #<Reference:0x000055ce317fcfd8> Fats and oils Unknown generic Pulses Unknown generic