78742 <common-name>(1Alpha,2beta,5alpha)-2-Methyl-5-(1-methylvinyl)cyclohexyl propionate</common-name> <description>(1Alpha,2beta,5alpha)-2-Methyl-5-(1-methylvinyl)cyclohexyl propionate belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. It has the chemical formula C13H22O2 and an average molecular weight of 210.32 g/mol.</description> <cas>71662-22-1</cas> <pubchem-id>44145854</pubchem-id> <chemical-formula>C13H22O2</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">2026-04-04T12:58:21Z</created-at> <updated-at type="dateTime">2026-04-04T12:58:21Z</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>CCC(=O)O[C@H]1C[C@H](CC[C@@H]1C)C(C)=C</moldb-smiles> <moldb-formula>C13H22O2</moldb-formula> <moldb-inchi>InChI=1S/C13H22O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h10-12H,2,5-8H2,1,3-4H3/t10-,11+,12+/m0/s1</moldb-inchi> <moldb-inchikey>HWOVQMSYUZIVEB-SRVKXCTJSA-N</moldb-inchikey> <moldb-average-mass type="decimal">210.317</moldb-average-mass> <moldb-mono-mass type="decimal">210.16198</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21168283</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>CHEM074635</chemdb-id> <dsstox-id>DTXSID50221900</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00037266</susdat-id> <iupac>[(1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl] propanoate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Prenol lipids</klass> <subklass>Monoterpenoids</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0142345</sync-id> <structure-inchikey>HWOVQMSYUZIVEB-SRVKXCTJSA-N</structure-inchikey> <structure-fingerprint>804000000000000000000000000000000000000000000000000002000000000000000000000010020000000000000000000000000000000000000000000000000000000000400020000000000500040000000000000000000002010000000000000000000000200000020000002000020000000000520000000040000000000000000200000000000000000000000000000000000000000800040004000000000200002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000100000000000000400000000000000000000000000000008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAKAAAAAMECAAoAAAAAwIIACgAAAADAgYgNAAAAAEBBAYAYAAAAAICBiA0 AAAAAgEEBgBgAAAAAgIGAGAAAAACAgYgNAAAAAIBBAYAYAAAAAEDBgAoAAAA AwQGAGAAAAABAwYAaAAAAAMCAgsAAQABAgACAygCAgQgBAUABQYABgcABwgA CAkACQoACgsABwwADA0ADA4IAgoFAEIBAAAABgUKCQgHBhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:26:08Z</structure-indexed-at> </compound>