23902 <common-name>2-Ethyl-5-methylfuran</common-name> <description nil="true"/> <cas>1703-52-2</cas> <pubchem-id>74346</pubchem-id> <chemical-formula>C7H10O</chemical-formula> <weight>110.15</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-25T18:53:43Z</created-at> <updated-at type="dateTime">2026-08-23T17:23:03Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCC1=CC=C(C)O1</moldb-smiles> <moldb-formula>C7H10O</moldb-formula> <moldb-inchi>InChI=1S/C7H10O/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3</moldb-inchi> <moldb-inchikey>NBXLPPVOZWYADY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">110.1537</moldb-average-mass> <moldb-mono-mass type="decimal">110.073164942</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>66942</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM022797</chemdb-id> <dsstox-id>DTXSID80168839</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00021742</susdat-id> <iupac>2-ethyl-5-methylfuran</iupac> <moldb-polar-surface-area>13.14</moldb-polar-surface-area> <moldb-refractivity>33.394800000000004</moldb-refractivity> <moldb-polarizability>13.041231391276314</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>0</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-2.2050935833545626</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.90</moldb-alogps-logp> <moldb-alogps-logs>-1.61</moldb-alogps-logs> <moldb-alogps-solubility>2.68e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Heteroaromatic compounds</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> </compound>