32737 <common-name>7,7-Diethoxy-3-heptene</common-name> <description>7,7-Diethoxy-3-heptene is an organic oxygen compound with the formula C11H22O2 and an average molecular weight of 186.29 g/mol. 7,7-Diethoxy-3-heptene belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. In industrial applications, this substance is utilized as a fragrance, as well as a nutrient and flavouring.</description> <cas>18492-65-4</cas> <pubchem-id>5369371</pubchem-id> <chemical-formula>C11H22O2</chemical-formula> <weight>186.29</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">2016-05-26T02:47:44Z</created-at> <updated-at type="dateTime">2026-08-18T13:43:07Z</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>CCOC(CC\C=C/CC)OCC</moldb-smiles> <moldb-formula>C11H22O2</moldb-formula> <moldb-inchi>InChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7-</moldb-inchi> <moldb-inchikey>BOALWZNGHWYCRG-FPLPWBNLSA-N</moldb-inchikey> <moldb-average-mass type="decimal">186.2912</moldb-average-mass> <moldb-mono-mass type="decimal">186.161979948</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</logp> <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>CHEM031632</chemdb-id> <dsstox-id>DTXSID00885051</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00052622</susdat-id> <iupac>(Z)-7,7-diethoxyhept-3-ene</iupac> <moldb-polar-surface-area>18.46</moldb-polar-surface-area> <moldb-refractivity>57.19440000000001</moldb-refractivity> <moldb-polarizability>23.17664742550055</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-4.014054151169007</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>3.52</moldb-alogps-logp> <moldb-alogps-logs>-3.33</moldb-alogps-logs> <moldb-alogps-solubility>8.78e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Ethers</subklass> <paper-count type="integer">1</paper-count> <sync-id>CED0069477</sync-id> <structure-inchikey>BOALWZNGHWYCRG-FPLPWBNLSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000000000000000000000000002000008000000000000000010004000000000000000000000000000000000000000000000000000080000000000000000000300000000001004000000000000000000000000000000000000000000100000002000000000000000000000000040000000000000000002000000000000000000000000024000000000000000000000000000080000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000010000002000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>10000000020200000000100000200000000000000500000000004000000004400000000080000000000100000000000420000000041000000044700020000084110000000000000080001000420000000000004000000200000420000001000c3000000000020000000000402000002000001000002000110800000010000200400000044000000800000009080000100400024400000000080800000000000041000000004000000008000004200002c00000000008000000000000000200000000040400000000800000000002000000000000004000000000000800000000000c0000000000000004000000200000000010004000000000000050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ���������������� �������€���`�������`������� ������`�������`�������`�������h��������h��������`�������`������� ������`�������`��������������������������� ���������� �� � �����B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:10:38Z</structure-indexed-at> </compound>