1.0 2010-04-08 22:11:30 UTC 2015-07-20 23:11:57 UTC FDB014850 Labienoxime Fragrance ingredient with a blackcurrant-like aroma 2,4,4,7-Tetramethylnona-6,8-dien-3-one oxime 6,8-Nonadien-3-one, 2,4,4,7-tetramethyl-, oxime Labienoxime C13H23NO 209.3278 209.177964363 (Z)-N-[(6E)-2,4,4,7-tetramethylnona-6,8-dien-3-ylidene]hydroxylamine (Z)-N-[(6E)-2,4,4,7-tetramethylnona-6,8-dien-3-ylidene]hydroxylamine 81783-01-9 CC(C)C(=N\O)\C(C)(C)C\C=C(/C)C=C InChI=1S/C13H23NO/c1-7-11(4)8-9-13(5,6)12(14-15)10(2)3/h7-8,10,15H,1,9H2,2-6H3/b11-8+,14-12- MEJYWDUBOCZFFS-FENWIEIGSA-N belongs to the class of organic compounds known as ketoximes. These are organic compounds with the general formula RC(R')=NOH (R,R' = organyl). Ketoximes Organic compounds Organic nitrogen compounds Organonitrogen compounds Oximes Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxygen compounds Organopnictogen compounds Aliphatic acyclic compound Hydrocarbon derivative Ketoxime Organic oxygen compound Organopnictogen compound logp 4.26 ALOGPS logs -3.60 ALOGPS solubility 5.29e-02 g/l ALOGPS logp 4.51 ChemAxon pka_strongest_acidic 10.73 ChemAxon pka_strongest_basic 2.96 ChemAxon iupac (Z)-N-[(6E)-2,4,4,7-tetramethylnona-6,8-dien-3-ylidene]hydroxylamine ChemAxon average_mass 209.3278 ChemAxon mono_mass 209.177964363 ChemAxon smiles CC(C)C(=N\O)\C(C)(C)C\C=C(/C)C=C ChemAxon formula C13H23NO ChemAxon inchi InChI=1S/C13H23NO/c1-7-11(4)8-9-13(5,6)12(14-15)10(2)3/h7-8,10,15H,1,9H2,2-6H3/b11-8+,14-12- ChemAxon inchikey MEJYWDUBOCZFFS-FENWIEIGSA-N ChemAxon polar_surface_area 32.59 ChemAxon refractivity 66.77 ChemAxon polarizability 25.22 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13753 Specdb::CMs 147038 Specdb::MsMs 68343 Specdb::MsMs 68344 Specdb::MsMs 68345 Specdb::MsMs 126348 Specdb::MsMs 126349 Specdb::MsMs 126350 Specdb::MsMs 3056384 Specdb::MsMs 3056385 Specdb::MsMs 3056386 Specdb::MsMs 3110954 Specdb::MsMs 3110955 Specdb::MsMs 3110956 Specdb::MsIr 7053 Specdb::MsIr 7054 Specdb::MsIr 7055 HMDB36031 #<Reference:0x000055ce31f3c6b8> cassis grapefruit green herbal rose oxide