1.0 2010-04-08 22:15:21 UTC 2019-11-26 03:19:39 UTC FDB020937 10,11-Epidioxycalamene Constituent of Cyperus rotundus (nutgrass). 10,11-Epidioxycalamene is found in root vegetables. 10,12-Peroxycalamenene C15H20O2 232.3181 232.146329884 4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.0²,⁷]trideca-2,4,6-triene 4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.0²,⁷]trideca-2,4,6-triene 168207-85-0 CC1=CC=C2C(=C1)C1CCC2(C)OOC1(C)C InChI=1S/C15H20O2/c1-10-5-6-13-11(9-10)12-7-8-15(13,4)17-16-14(12,2)3/h5-6,9,12H,7-8H2,1-4H3 ALXPNLYWXCZUCG-UHFFFAOYSA-N belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. Tetralins Organic compounds Benzenoids Tetralins Aromatic heteropolycyclic compounds Dialkyl peroxides Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Aromatic heteropolycyclic compound Dialkyl peroxide Hydrocarbon derivative Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Tetralin logp 4.67 ALOGPS logs -4.46 ALOGPS solubility 8.02e-03 g/l ALOGPS melting_point Mp 67-68.5° logp 3.96 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.0²,⁷]trideca-2,4,6-triene ChemAxon average_mass 232.3181 ChemAxon mono_mass 232.146329884 ChemAxon smiles CC1=CC=C2C(=C1)C1CCC2(C)OOC1(C)C ChemAxon formula C15H20O2 ChemAxon inchi InChI=1S/C15H20O2/c1-10-5-6-13-11(9-10)12-7-8-15(13,4)17-16-14(12,2)3/h5-6,9,12H,7-8H2,1-4H3 ChemAxon inchikey ALXPNLYWXCZUCG-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 67.76 ChemAxon polarizability 26.46 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18248 Specdb::CMs 160909 Specdb::MsMs 306454 Specdb::MsMs 306455 Specdb::MsMs 306456 Specdb::MsMs 350107 Specdb::MsMs 350108 Specdb::MsMs 350109 Specdb::MsMs 2307429 Specdb::MsMs 2307430 Specdb::MsMs 2307431 Specdb::MsMs 2654624 Specdb::MsMs 2654625 Specdb::MsMs 2654626 HMDB41062 #<Reference:0x000055ce30482638> Root vegetables Unknown generic