6539 <common-name>2,2-DIMETHYL-5-(1-METHYLPROPEN-1-YL) TETRAHYDROFURAN</common-name> <description>2,2-DIMETHYL-5-(1-METHYLPROPEN-1-YL) TETRAHYDROFURAN belongs to the tetrahydrofurans, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C10H18O and an average molecular weight of 154.25 g/mol. In industrial applications, it is utilized as a fragrance, as well as a flavouring and nutrient.</description> <cas>7416-35-5</cas> <pubchem-id>5363526</pubchem-id> <chemical-formula>C10H18O</chemical-formula> <weight nil="true"/> <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">2016-05-19T02:02:08Z</created-at> <updated-at type="dateTime">2026-04-05T22:12:28Z</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>[H]\C(C)=C(\C)C1CCC(C)(C)O1</moldb-smiles> <moldb-formula>C10H18O</moldb-formula> <moldb-inchi>InChI=1S/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3/b8-5+</moldb-inchi> <moldb-inchikey>LPEYLSKLVYWOEQ-VMPITWQZSA-N</moldb-inchikey> <moldb-average-mass type="decimal">154.253</moldb-average-mass> <moldb-mono-mass type="decimal">154.1357652</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM005434</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00088126</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>9.23</moldb-polar-surface-area> <moldb-refractivity>48.398900000000005</moldb-refractivity> <moldb-polarizability>19.17569736363643</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.21342096490661</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.82</moldb-alogps-logp> <moldb-alogps-logs>-2.55</moldb-alogps-logs> <moldb-alogps-solubility>4.38e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Tetrahydrofurans</klass> <subklass nil="true"/> <paper-count type="integer">5</paper-count> <sync-id>CED0136985</sync-id> <structure-inchikey>LPEYLSKLVYWOEQ-VMPITWQZSA-N</structure-inchikey> <structure-fingerprint>100000000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000900000040200000000000000000000000000010000400008100000000000000000020000000000000000000400500000000048020000000000000000000000200000000000000000000000000020000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000080100000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAALAAAACwAAAIABBgA4AAAAAwEEBgBgAAAA AQMGACgAAAADBAYAYAAAAAEDBgBgAAAAAwEGAGAAAAACAgYAYAAAAAICBgAg AAAABAYAYAAAAAEDBgBgAAAAAQMIACAAAAACCwABBAMAAgoCAwIBBAIDBAMC BAAEBQAFBgAGBwAHCAAHCQAHCgAKBABCAQAAAAUEBQYHChcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:23Z</structure-indexed-at> </compound>