95328 <common-name>2-Isopropylvaleric acid</common-name> <description>2-Isopropylvaleric acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. It has the chemical formula C8H16O2 and an average molecular weight of 144.21 g/mol. This compound is further classified under the superclass of lipids and lipid-like molecules.</description> <cas>62391-99-5</cas> <pubchem-id>147513</pubchem-id> <chemical-formula>C8H16O2</chemical-formula> <weight>144.21</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">2026-04-05T03:18:34Z</created-at> <updated-at type="dateTime">2026-08-24T17:09:38Z</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>CCCC(C(C)C)C(O)=O</moldb-smiles> <moldb-formula>C8H16O2</moldb-formula> <moldb-inchi>InChI=1/C8H16O2/c1-4-5-7(6(2)3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10)</moldb-inchi> <moldb-inchikey>ODPKTGAWWHZBOY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">144.214</moldb-average-mass> <moldb-mono-mass type="decimal">144.1150298</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</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>CHEM091221</chemdb-id> <dsstox-id>DTXSID70881262</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00057286</susdat-id> <iupac>2-propan-2-ylpentanoic acid</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>Fatty Acyls</klass> <subklass>Fatty acids and conjugates</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0116870</sync-id> <structure-inchikey>ODPKTGAWWHZBOY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800000000000000000000000000000000000000000000000001002000000000000000000000004000000000000000000000000000000000000000000000000000000000000000020000000000000000000001000080000000020010000000000000000000000000000000000000000000000000000000000000040000000000000000000200000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000400000000000080000800000000000000000400000000000000000000000000000800</structure-fingerprint> <structure-pattern-fingerprint>200102060008000000000820000000000001040000002000400000000c4000001000800000000001000080000004200084008c00010000443000a0000080110000000000000000002000620100000000004000002200000020000009000c200000004002000000000040300000200080100005600411080000001000020044000804400000080002008800000010040002444010000004080000000000004100000000400000000800002c001002c0000000000800000000000000000000010004040000000080000000010000000400000000400000000000080000000000080000000000000000000000000000000000004000000000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAKAAAACQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAwEGAGAAAAADAQYAYAAAAAEDBgBgAAAAAQMGACgA AAADBAgAaAAAAAMBAQgAKAAAAAMCCwABAAECAAIDAAMEAAQFAAQGAAMHAAcI IAcJKAJCAAAAABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:36:20Z</structure-indexed-at> </compound>