1.0 2010-04-08 22:11:51 UTC 2015-07-20 23:18:24 UTC FDB015452 Apotrichothecene Mycotoxin of Fusarium culmorum C15H24O2 236.3499 236.177630012 {1,2,10-trimethyl-7-oxatricyclo[6.4.0.0²,⁶]dodec-9-en-6-yl}methanol {1,2,10-trimethyl-7-oxatricyclo[6.4.0.0²,⁶]dodec-9-en-6-yl}methanol CC1=CC2OC3(CO)CCCC3(C)C2(C)CC1 InChI=1S/C15H24O2/c1-11-5-8-13(2)12(9-11)17-15(10-16)7-4-6-14(13,15)3/h9,12,16H,4-8,10H2,1-3H3 JFZZTCKYMWJCGK-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrahydrofurans. These are heterocyclic compounds containing a saturated, aliphatic, five-membered ring where a carbon is replaced by an oxygen. Tetrahydrofurans Organic compounds Organoheterocyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compounds Dialkyl ethers Hydrocarbon derivatives Oxacyclic compounds Primary alcohols Alcohol Aliphatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle Primary alcohol Tetrahydrofuran logp 2.71 ALOGPS logs -3.00 ALOGPS solubility 2.37e-01 g/l ALOGPS logp 2.68 ChemAxon pka_strongest_acidic 14.35 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac {1,2,10-trimethyl-7-oxatricyclo[6.4.0.0²,⁶]dodec-9-en-6-yl}methanol ChemAxon average_mass 236.3499 ChemAxon mono_mass 236.177630012 ChemAxon smiles CC1=CC2OC3(CO)CCCC3(C)C2(C)CC1 ChemAxon formula C15H24O2 ChemAxon inchi InChI=1S/C15H24O2/c1-11-5-8-13(2)12(9-11)17-15(10-16)7-4-6-14(13,15)3/h9,12,16H,4-8,10H2,1-3H3 ChemAxon inchikey JFZZTCKYMWJCGK-UHFFFAOYSA-N ChemAxon polar_surface_area 29.46 ChemAxon refractivity 68.6 ChemAxon polarizability 27.28 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22176 Specdb::CMs 44898 Specdb::CMs 135641 Specdb::CMs 143375 Specdb::MsMs 107040 Specdb::MsMs 107041 Specdb::MsMs 107042 Specdb::MsMs 173916 Specdb::MsMs 173917 Specdb::MsMs 173918 Specdb::MsMs 2802595 Specdb::MsMs 2802596 Specdb::MsMs 2802597 Specdb::MsMs 2878949 Specdb::MsMs 2878950 Specdb::MsMs 2878951 HMDB36549 #<Reference:0x000055ce3214abd0>