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

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ChEBI Name	4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid

ChEBI ID	CHEBI:191402

Definition	A tetrahydrofuranone that is tetrahydrofuran substituted by octyl, carboxy, methylidene, and oxo groups at positions 2, 3, 4 and 5, respectively.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:191193

Supplier Information

Download	Molfile XML SDF

Formula

C14H22O4

Net Charge

Average Mass

254.326

Monoisotopic Mass

254.15181

InChI

InChI=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)

InChIKey

VCWLZDVWHQVAJU-UHFFFAOYSA-N

SMILES

CCCCCCCCC1OC(=O)C(=C)C1C(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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	(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	Sources
4-methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid	ChEBI
4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid	IUPAC
tetrahydro-4-methylene-2-octyl-5-oxo-3-furancarboxylic acid	ChEBI

Registry Number	Type	Source
218137-86-1	CAS Registry Number	ChemIDplus

Last Modified

12 May 2022

General Comment
2022-05-12	This is the entry for material with unspecified stereochemistry. There are separate entries for the racemtate (C75) and its individual enantiomers (+) and (−)-C75.