1.0 2010-04-08 22:15:05 UTC 2019-11-26 03:19:03 UTC FDB020517 Humulene diepoxide A Constituent of hops, Zingiber zerumbet (wild ginger). Humulene diepoxide A is found in alcoholic beverages and herbs and spices. Humulene diepoxide A C15H24O2 236.3499 236.177630012 (8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.0⁴,⁶]tridec-8-ene (8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.0⁴,⁶]tridec-8-ene 118899-63-1 CC12CCC3OC3(C)C\C=C/C(C)(C)CC1O2 InChI=1S/C15H24O2/c1-13(2)7-5-8-14(3)11(16-14)6-9-15(4)12(10-13)17-15/h5,7,11-12H,6,8-10H2,1-4H3/b7-5- UFBUQKAQYQDEOE-ALCCZGGFSA-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 3.51 ALOGPS logs -4.49 ALOGPS solubility 7.60e-03 g/l ALOGPS melting_point Mp 106-107° logp 3.08 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac (8Z)-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.0⁴,⁶]tridec-8-ene ChemAxon average_mass 236.3499 ChemAxon mono_mass 236.177630012 ChemAxon smiles CC12CCC3OC3(C)C\C=C/C(C)(C)CC1O2 ChemAxon formula C15H24O2 ChemAxon inchi InChI=1S/C15H24O2/c1-13(2)7-5-8-14(3)11(16-14)6-9-15(4)12(10-13)17-15/h5,7,11-12H,6,8-10H2,1-4H3/b7-5- ChemAxon inchikey UFBUQKAQYQDEOE-ALCCZGGFSA-N ChemAxon polar_surface_area 25.06 ChemAxon refractivity 69.07 ChemAxon polarizability 27.38 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20692 Specdb::CMs 173739 Specdb::MsMs 312082 Specdb::MsMs 312083 Specdb::MsMs 312084 Specdb::MsMs 357244 Specdb::MsMs 357245 Specdb::MsMs 357246 Specdb::MsMs 2327301 Specdb::MsMs 2327302 Specdb::MsMs 2327303 Specdb::MsMs 2612140 Specdb::MsMs 2612141 Specdb::MsMs 2612142 HMDB40712 #<Reference:0x000055ce32c8b738> Alcoholic beverages Unknown generic Herbs and Spices Unknown generic