1.0 2010-04-08 22:07:49 UTC 2025-11-18 23:05:45 UTC FDB007873 Dimethyl furan Dimethyl furan is a member of the class of compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Dimethyl furan is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dimethyl furan can be found in garden onion, which makes dimethyl furan a potential biomarker for the consumption of this food product. C6H8O 96.129 96.057514878 2,3-dimethylfuran furan, dimethyl- CC1=C(C)C=CO1 InChI=1S/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3 FJSKXQVRKZTKSI-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Furans Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Aromatic heteromonocyclic compound Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Oxacycle logp 2.22 ALOGPS logs -1.11 ALOGPS solubility 7.42e+00 g/l ALOGPS logp 1.83 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 2,3-dimethylfuran ChemAxon average_mass 96.129 ChemAxon mono_mass 96.057514878 ChemAxon smiles CC1=C(C)C=CO1 ChemAxon formula C6H8O ChemAxon inchi InChI=1S/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3 ChemAxon inchikey FJSKXQVRKZTKSI-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 28.76 ChemAxon polarizability 10.84 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 106742 Specdb::CMs 118993 Specdb::MsMs 72204 Specdb::MsMs 72205 Specdb::MsMs 72206 Specdb::MsMs 131043 Specdb::MsMs 131044 Specdb::MsMs 131045 Specdb::MsMs 3400831 Specdb::MsMs 3400832 Specdb::MsMs 3400833 Specdb::MsMs 3400834 Specdb::MsMs 3400835 Specdb::MsMs 3400836 Specdb::NmrOneD 178941 Specdb::NmrOneD 178942 Specdb::NmrOneD 178943 Specdb::NmrOneD 178944 Specdb::NmrOneD 178945 Specdb::NmrOneD 178946 Specdb::NmrOneD 178947 Specdb::NmrOneD 178948 Specdb::NmrOneD 178949 Specdb::NmrOneD 178950 Specdb::NmrOneD 178951 Specdb::NmrOneD 178952 Specdb::NmrOneD 178953 Specdb::NmrOneD 178954 Specdb::NmrOneD 178955 Specdb::NmrOneD 178956 Specdb::NmrOneD 178957 Specdb::NmrOneD 178958 Specdb::NmrOneD 178959 Specdb::NmrOneD 178960 Garden onion Type 1 specific Allium cepa 4679