1.0 2016-10-03 18:33:47 UTC 2020-04-22 15:48:55 UTC BMDB0012183 BMDB12183 8-Methylnonenoate 8-Methylnonenoic acid (6E)-8-Methyl-6-nonenoate (6E)-8-Methyl-6-nonenoic acid (e)-8-Methyl-6-nonenoate (e)-8-Methyl-6-nonenoic acid 8-Methyl-6-nonenoate 8-Methyl-6-nonenoic acid C10H18O2 170.2487 170.13067982 (6E)-8-methylnon-6-enoic acid (6E)-8-methylnon-6-enoic acid 59320-77-3 CC(C)\C=C\CCCCC(O)=O InChI=1S/C10H18O2/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3,(H,11,12)/b7-5+ OCALSPDXYQHUHA-FNORWQNLSA-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 Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Unsaturated fatty acids Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid Aliphatic acyclic compounds medium-chain fatty acid Solid logp 3.16 ALOGPS logs -2.76 ALOGPS logp 3.07 ChemAxon pka_strongest_acidic 5.19 ChemAxon iupac (6E)-8-methylnon-6-enoic acid ChemAxon average_mass 170.2487 ChemAxon mono_mass 170.13067982 ChemAxon smiles CC(C)\C=C\CCCCC(O)=O ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3,(H,11,12)/b7-5+ ChemAxon inchikey OCALSPDXYQHUHA-FNORWQNLSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 50.54 ChemAxon polarizability 20.46 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 21399 Specdb::CMs 39854 Specdb::CMs 163299 Specdb::MsIr 2691 Specdb::MsIr 2692 Specdb::MsIr 2693 Specdb::MsMs 313603 Specdb::MsMs 313604 Specdb::MsMs 313605 Specdb::MsMs 359125 Specdb::MsMs 359126 Specdb::MsMs 359127 Specdb::MsMs 2436823 Specdb::MsMs 2436824 Specdb::MsMs 2436825 Specdb::MsMs 2528781 Specdb::MsMs 2528782 Specdb::MsMs 2528783 FDB028836 4517892 5365959 C00052781 C18202 81581 CPD-9329