1.0 2010-04-08 22:12:06 UTC 2018-05-29 01:22:55 UTC FDB015871 Sesquicineol Constituent of Boronia megastigma (brown boronia) 3,7-Epoxy-10-bisabolene 3,7-Oxido-10-bisabolene BISABOL-10-ENE,3,7-OXIDE Sesquicineole C15H26O 222.3663 222.198365454 1,3-dimethyl-3-(4-methylpent-3-en-1-yl)-2-oxabicyclo[2.2.2]octane 1,3-dimethyl-3-(4-methylpent-3-en-1-yl)-2-oxabicyclo[2.2.2]octane 90131-02-5 CC(C)=CCCC1(C)OC2(C)CCC1CC2 InChI=1S/C15H26O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6,13H,5,7-11H2,1-4H3 BAQRIYKLDIPFQB-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 Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Oxane logp 5.17 ALOGPS logs -4.84 ALOGPS solubility 3.23e-03 g/l ALOGPS logp 4.09 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 1,3-dimethyl-3-(4-methylpent-3-en-1-yl)-2-oxabicyclo[2.2.2]octane ChemAxon average_mass 222.3663 ChemAxon mono_mass 222.198365454 ChemAxon smiles CC(C)=CCCC1(C)OC2(C)CCC1CC2 ChemAxon formula C15H26O ChemAxon inchi InChI=1S/C15H26O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6,13H,5,7-11H2,1-4H3 ChemAxon inchikey BAQRIYKLDIPFQB-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 69.59 ChemAxon polarizability 27.98 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20109 Specdb::CMs 149635 Specdb::MsMs 71454 Specdb::MsMs 71455 Specdb::MsMs 71456 Specdb::MsMs 130131 Specdb::MsMs 130132 Specdb::MsMs 130133 Specdb::MsMs 2805717 Specdb::MsMs 2805718 Specdb::MsMs 2805719 Specdb::MsMs 2876933 Specdb::MsMs 2876934 Specdb::MsMs 2876935 HMDB36908 #<Reference:0x000055ce32b48dd0>