1.0 2010-04-08 22:14:20 UTC 2019-11-26 03:17:27 UTC FDB019409 1,1'-[1,13-Tridecanediylbis(oxy)]bisbenzene Isolated from the leaves of Arachis hypogaea (peanut) infected with Puccinia arachidis. 1,1'-[1,13-Tridecanediylbis(oxy)]bisbenzene is found in nuts. 1,1'-[1,13-Tridecanediylbis(oxy)]bisbenzene, 9CI 1,13-Diphenoxytridecane C25H36O2 368.5521 368.271530396 [(13-phenoxytridecyl)oxy]benzene [(13-phenoxytridecyl)oxy]benzene 141620-05-5 C(CCCCCCOC1=CC=CC=C1)CCCCCCOC1=CC=CC=C1 InChI=1S/C25H36O2/c1(2-4-6-8-16-22-26-24-18-12-10-13-19-24)3-5-7-9-17-23-27-25-20-14-11-15-21-25/h10-15,18-21H,1-9,16-17,22-23H2 YBKOKZOLSIXILH-UHFFFAOYSA-N belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. Phenol ethers Organic compounds Benzenoids Phenol ethers Aromatic homomonocyclic compounds Alkyl aryl ethers Hydrocarbon derivatives Phenoxy compounds Alkyl aryl ether Aromatic homomonocyclic compound Ether Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound logp 9.13 ALOGPS logs -7.61 ALOGPS solubility 9.14e-06 g/l ALOGPS logp 8.04 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac [(13-phenoxytridecyl)oxy]benzene ChemAxon average_mass 368.5521 ChemAxon mono_mass 368.271530396 ChemAxon smiles C(CCCCCCOC1=CC=CC=C1)CCCCCCOC1=CC=CC=C1 ChemAxon formula C25H36O2 ChemAxon inchi InChI=1S/C25H36O2/c1(2-4-6-8-16-22-26-24-18-12-10-13-19-24)3-5-7-9-17-23-27-25-20-14-11-15-21-25/h10-15,18-21H,1-9,16-17,22-23H2 ChemAxon inchikey YBKOKZOLSIXILH-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 113.99 ChemAxon polarizability 47.41 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24734 Specdb::CMs 169232 Specdb::MsMs 93075 Specdb::MsMs 93076 Specdb::MsMs 93077 Specdb::MsMs 156801 Specdb::MsMs 156802 Specdb::MsMs 156803 Specdb::MsMs 2417893 Specdb::MsMs 2417894 Specdb::MsMs 2417895 Specdb::MsMs 2548324 Specdb::MsMs 2548325 Specdb::MsMs 2548326 HMDB39761 #<Reference:0x000055ce317cf790> Nuts Unknown generic