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CHEBI:191402 - 4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid

ChEBI IDCHEBI:191402
ChEBI Name4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid
Stars
DefinitionA tetrahydrofuranone that is tetrahydrofuran substituted by octyl, carboxy, methylidene, and oxo groups at positions 2, 3, 4 and 5, respectively.
Secondary ChEBI IDCHEBI:191193
Last Modified12 May 2022
SubmitterAdnan
DownloadsMolfile
FormulaC14H22O4
Net Charge0
Average Mass254.326
Monoisotopic Mass254.15181
SMILESC=C1C(=O)OC(CCCCCCCC)C1C(=O)O
InChIInChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)
InChIKeyVCWLZDVWHQVAJU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid (CHEBI:191402) is a monocarboxylic acid (CHEBI:25384)
4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid (CHEBI:191402) is a tetrahydrofuranone (CHEBI:47016)
Incoming Relation(s)
(2R,3S)-C75 (CHEBI:191400) is a 4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid (CHEBI:191402)
(2S,3R)-C75 (CHEBI:191401) is a 4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid (CHEBI:191402)
IUPAC Name 
4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid
Synonyms  Source
4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acidIUPAC
tetrahydro-4-methylene-2-octyl-5-oxo-3-furancarboxylic acidChEBI
4-methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acidChEBI
Manual XrefsDatabases
3456585ChemSpider
Registry NumbersSources
CAS:218137-86-1ChemIDplus