1.0 2010-04-08 22:05:39 UTC 2018-05-28 22:16:44 UTC FDB003093 12,13-Epoxy-9,15-octadecadienoic acid Isolated from roots of rice plant Fukuyuki. 12,13-Epoxy-9,15-octadecadienoic acid C18H30O3 294.429 294.219494826 (9E)-11-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid (9E)-11-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid 88159-18-6 CC\C=C/CC1OC1C\C=C\CCCCCCCC(O)=O InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20)/b10-3-,11-8+ BKKGUKSHPCTUGE-GSRSKSEFSA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Long-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acids Dialkyl ethers Epoxides Epoxy fatty acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Unsaturated fatty acids Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Epoxy fatty acid Ether Heterocyclic fatty acid Hydrocarbon derivative Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Unsaturated fatty acid logp 5.78 ALOGPS logs -5.52 ALOGPS solubility 8.82e-04 g/l ALOGPS logp 5.12 ChemAxon pka_strongest_acidic 4.99 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (9E)-11-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}undec-9-enoic acid ChemAxon average_mass 294.429 ChemAxon mono_mass 294.219494826 ChemAxon smiles CC\C=C/CC1OC1C\C=C\CCCCCCCC(O)=O ChemAxon formula C18H30O3 ChemAxon inchi InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,16-17H,2,4-7,9,12-15H2,1H3,(H,19,20)/b10-3-,11-8+ ChemAxon inchikey BKKGUKSHPCTUGE-GSRSKSEFSA-N ChemAxon polar_surface_area 49.83 ChemAxon refractivity 88.04 ChemAxon polarizability 36.52 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14360 Specdb::CMs 42350 Specdb::CMs 168074 Specdb::MsMs 48372 Specdb::MsMs 48373 Specdb::MsMs 48374 Specdb::MsMs 173124 Specdb::MsMs 173125 Specdb::MsMs 173126 Specdb::MsMs 2699393 Specdb::MsMs 2699394 Specdb::MsMs 2699395 Specdb::MsMs 3005907 Specdb::MsMs 3005908 Specdb::MsMs 3005909 HMDB31088 #<Reference:0x000055ce329701e8>