1.0 2010-04-08 22:07:51 UTC 2019-11-26 03:01:54 UTC FDB007946 Ponticaepoxide Ponticaepoxide is a member of the class of compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms). Ponticaepoxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ponticaepoxide can be found in chicory, which makes ponticaepoxide a potential biomarker for the consumption of this food product. C13H10O 182.2179 182.073164942 2-ethenyl-3-[(1Z)-non-1-en-3,5,7-triyn-1-yl]oxirane 2-ethenyl-3-[(1Z)-non-1-en-3,5,7-triyn-1-yl]oxirane CC#CC#CC#C\C=C/C1OC1C=C InChI=1S/C13H10O/c1-3-5-6-7-8-9-10-11-13-12(4-2)14-13/h4,10-13H,2H2,1H3/b11-10- ZJMXHGIVVFPAJY-KHPPLWFESA-N belongs to the class of organic compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms). Epoxides Organic compounds Organoheterocyclic compounds Epoxides Aliphatic heteromonocyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteromonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxirane logp 3.58 ALOGPS logs -4.13 ALOGPS solubility 1.34e-02 g/l ALOGPS logp 3.34 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 2-ethenyl-3-[(1Z)-non-1-en-3,5,7-triyn-1-yl]oxirane ChemAxon average_mass 182.2179 ChemAxon mono_mass 182.073164942 ChemAxon smiles CC#CC#CC#C\C=C/C1OC1C=C ChemAxon formula C13H10O ChemAxon inchi InChI=1S/C13H10O/c1-3-5-6-7-8-9-10-11-13-12(4-2)14-13/h4,10-13H,2H2,1H3/b11-10- ChemAxon inchikey ZJMXHGIVVFPAJY-KHPPLWFESA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 60.07 ChemAxon polarizability 21.2 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 84051 Specdb::MsMs 84052 Specdb::MsMs 84053 Specdb::MsMs 145803 Specdb::MsMs 145804 Specdb::MsMs 145805 Specdb::MsMs 3604592 Specdb::MsMs 3604593 Specdb::MsMs 3604594 Specdb::MsMs 3604595 Specdb::MsMs 3604596 Specdb::MsMs 3604597 Chicory Type 1 specific Cichorium intybus 13427 Aedifuge 32 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Insecticide 1040 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.