1.0 2011-05-03 20:27:20 UTC 2025-11-19 02:39:55 UTC FDB021832 (±)-Limonene diepoxide (±)-limonene diepoxide is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (±)-limonene diepoxide is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (±)-limonene diepoxide can be found in wild celery, which makes (±)-limonene diepoxide a potential biomarker for the consumption of this food product. (±)-Limonene diepoxide 1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane, 9CI 1,2:8,9-Diepoxymethane Dipentene diepoxide C10H16O2 168.2328 168.115029756 1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane 1,2:8,9-diepoxy-p-menthane 96-08-2 CC1(CO1)C1CCC2(C)OC2C1 InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3 RBHIUNHSNSQJNG-UHFFFAOYSA-N belongs to the class of organic compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms. Oxepanes Organic compounds Organoheterocyclic compounds Oxepanes Aliphatic heteropolycyclic compounds Dialkyl ethers Epoxides Hydrocarbon derivatives Oxacyclic compounds Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxepane Oxirane logp 1.44 ALOGPS logs -1.91 ALOGPS solubility 2.06e+00 g/l ALOGPS logp 1.39 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane ChemAxon average_mass 168.2328 ChemAxon mono_mass 168.115029756 ChemAxon smiles CC1(CO1)C1CCC2(C)OC2C1 ChemAxon formula C10H16O2 ChemAxon inchi InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3 ChemAxon inchikey RBHIUNHSNSQJNG-UHFFFAOYSA-N ChemAxon polar_surface_area 25.06 ChemAxon refractivity 45.26 ChemAxon polarizability 18.92 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1269607 Specdb::MsMs 1269608 Specdb::MsMs 1269609 Specdb::MsMs 1384630 Specdb::MsMs 1384631 Specdb::MsMs 1384632 Specdb::MsMs 3606928 Specdb::MsMs 3606929 Specdb::MsMs 3606930 Specdb::MsMs 3606931 Specdb::MsMs 3606932 Specdb::MsMs 3606933 Wild celery Type 1 specific Apium graveolens 4045