1.0 2010-04-08 22:11:52 UTC 2019-11-26 03:11:40 UTC FDB015488 5,8-Epoxydaucane Constituent of carrot Daucus carota. 5,8-Epoxydaucane is found in wild carrot, root vegetables, and carrot. 5,8-Epoxydaucane Carota-1,4-beta-oxide Carota-1,4-oxide Carotol ether C15H26O 222.3663 222.198365454 5,8-dimethyl-2-(propan-2-yl)-11-oxatricyclo[6.2.1.0¹,⁵]undecane 2-isopropyl-5,8-dimethyl-11-oxatricyclo[6.2.1.0¹,⁵]undecane 56484-24-3 CC(C)C1CCC2(C)CCC3(C)CCC12O3 InChI=1S/C15H26O/c1-11(2)12-5-6-13(3)7-8-14(4)9-10-15(12,13)16-14/h11-12H,5-10H2,1-4H3 WABYSPBNXHXFIQ-UHFFFAOYSA-N belongs to the class of organic compounds known as oxanes. Oxanes are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. Oxanes Organic compounds Organoheterocyclic compounds Oxanes Aliphatic heteropolycyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxane Tetrahydrofuran logp 3.93 ALOGPS logs -5.23 ALOGPS solubility 1.32e-03 g/l ALOGPS logp 3.96 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 5,8-dimethyl-2-(propan-2-yl)-11-oxatricyclo[6.2.1.0¹,⁵]undecane ChemAxon average_mass 222.3663 ChemAxon mono_mass 222.198365454 ChemAxon smiles CC(C)C1CCC2(C)CCC3(C)CCC12O3 ChemAxon formula C15H26O ChemAxon inchi InChI=1S/C15H26O/c1-11(2)12-5-6-13(3)7-8-14(4)9-10-15(12,13)16-14/h11-12H,5-10H2,1-4H3 ChemAxon inchikey WABYSPBNXHXFIQ-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 66.52 ChemAxon polarizability 27.22 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25559 Specdb::CMs 171191 Specdb::MsMs 87783 Specdb::MsMs 87784 Specdb::MsMs 87785 Specdb::MsMs 150372 Specdb::MsMs 150373 Specdb::MsMs 150374 Specdb::MsMs 2319950 Specdb::MsMs 2319951 Specdb::MsMs 2319952 Specdb::MsMs 2618330 Specdb::MsMs 2618331 Specdb::MsMs 2618332 HMDB36580 #<Reference:0x000055ce2f46e058> Carrot Type 1 specific Daucus carota ssp. sativus 79200 0.035 0.035 0.035 mg/100 g Root vegetables Unknown generic Wild carrot Type 1 specific Daucus carota 4039 0.035 0.035 0.035 mg/100 g