1.0 2010-04-08 22:07:04 UTC 2019-11-26 03:01:03 UTC FDB006272 Humulene epoxide Humulene epoxide 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). Humulene epoxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Humulene epoxide can be found in cloves and sweet basil, which makes humulene epoxide a potential biomarker for the consumption of these food products. C15H24O 220.356 220.182715393 (4E,7E)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene (4E,7E)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene [H]C1=C([H])C(C)(C)CC2OC2(C)CC\C([H])=C(C)\C1 InChI=1S/C15H24O/c1-12-7-5-9-14(2,3)11-13-15(4,16-13)10-6-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8+ RKQDKXOBRXTSFS-ZYEZJADKSA-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 heteropolycyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxirane logp 5.02 ALOGPS logs -4.45 ALOGPS solubility 7.79e-03 g/l ALOGPS logp 3.98 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (4E,7E)-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-diene ChemAxon average_mass 220.356 ChemAxon mono_mass 220.182715393 ChemAxon smiles [H]C1=C([H])C(C)(C)CC2OC2(C)CC\C([H])=C(C)\C1 ChemAxon formula C15H24O ChemAxon inchi InChI=1S/C15H24O/c1-12-7-5-9-14(2,3)11-13-15(4,16-13)10-6-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5-,12-8+ ChemAxon inchikey RKQDKXOBRXTSFS-ZYEZJADKSA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 70.31 ChemAxon polarizability 26.39 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 69495 Specdb::MsMs 69496 Specdb::MsMs 69497 Specdb::MsMs 127791 Specdb::MsMs 127792 Specdb::MsMs 127793 Cloves Type 1 specific Syzygium aromaticum 219868 Sweet basil Type 1 specific Ocimum basilicum 39350 0.02 0.02 0.02 mg/100 g