1.0 2016-10-03 18:01:38 UTC 2020-04-22 15:39:29 UTC BMDB0010220 BMDB10220 9(10)-EpODE 9(10)-Epoxy-12Z,15Z-octadecadienoate 9(10)-Epoxy-12Z,15Z-octadecadienoic acid a-9(10)-EpODE alpha-9(10)-EpODE Α-9(10)-epode 9,10-Epoxy-12,15-octadecadienoate C18H30O3 294.429 294.219494826 8-{3-[(2Z,5Z)-octa-2,5-dien-1-yl]oxiran-2-yl}octanoic acid 8-{3-[(2Z,5Z)-octa-2,5-dien-1-yl]oxiran-2-yl}octanoic acid CC\C=C/C\C=C/CC1OC1CCCCCCCC(O)=O InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h3-4,7,10,16-17H,2,5-6,8-9,11-15H2,1H3,(H,19,20)/b4-3-,10-7- JTEGNNHWOIJBJZ-ZJSQCTGTSA-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 Dialkyl ethers Epoxides Epoxy fatty acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dialkyl ether Epoxy fatty acid Ether Heterocyclic fatty acid Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Aliphatic heteromonocyclic compounds Other Octadecanoids Solid logp 5.73 ALOGPS logs -5.52 ALOGPS logp 5.12 ChemAxon pka_strongest_acidic 4.62 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 8-{3-[(2Z,5Z)-octa-2,5-dien-1-yl]oxiran-2-yl}octanoic acid ChemAxon average_mass 294.429 ChemAxon mono_mass 294.219494826 ChemAxon smiles CC\C=C/C\C=C/CC1OC1CCCCCCCC(O)=O ChemAxon formula C18H30O3 ChemAxon inchi InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h3-4,7,10,16-17H,2,5-6,8-9,11-15H2,1H3,(H,19,20)/b4-3-,10-7- ChemAxon inchikey JTEGNNHWOIJBJZ-ZJSQCTGTSA-N ChemAxon polar_surface_area 49.83 ChemAxon refractivity 88.04 ChemAxon polarizability 36.16 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 19245 Specdb::CMs 39433 Specdb::CMs 160931 Specdb::MsMs 92904 Specdb::MsMs 92905 Specdb::MsMs 92906 Specdb::MsMs 156588 Specdb::MsMs 156589 Specdb::MsMs 156590 Specdb::MsMs 2763640 Specdb::MsMs 2763641 Specdb::MsMs 2763642 Specdb::MsMs 2942737 Specdb::MsMs 2942738 Specdb::MsMs 2942739 17220743 16061060 88441 FDB003106