Ethyl 5-oxohexanoate (C8H14O3)

Ethyl 5-oxohexanoate presents a C8 framework (formula C8H14O3, CAS 13984-57-1). ChemicalHelper Reaction can propose ranked disconnections for Ethyl 5-oxohexanoate from the SMILES CCOC(=O)CCCC(C)=O.

Target: Ethyl 5-oxohexanoate
CAS: 13984-57-1
Formula: C8H14O3
Approx. MW: 158.20
SMILES: CCOC(=O)CCCC(C)=O
PubChem CID: 84130
Approx. carbons: C8

Ethyl 5-oxohexanoate structure

Properties

IUPAC name: ethyl 5-oxohexanoate
Common names: Ethyl 5-oxohexanoate; Ethyl 4-acetylbutyrate; Hexanoic acid, 5-oxo-, ethyl ester; DJ9EME6QBQ; DTXSID6065688; MGPSIDGTLFKDEY-UHFFFAOYSA-; RefChem:138835; DTXCID8034530; InChI=1/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3; MGPSIDGTLFKDEY-UHFFFAOYSA-N
Molecular weight: 158.19
Exact mass: 158.09
InChIKey: MGPSIDGTLFKDEY-UHFFFAOYSA-N

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Ethyl 5-oxohexanoate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Ethyl 5-oxohexanoate?

Ethyl 5-oxohexanoate has molecular formula C8H14O3. Molecular weight about 158.20 g·mol⁻¹.

What is the CAS number of Ethyl 5-oxohexanoate?

The CAS Registry Number for Ethyl 5-oxohexanoate is 13984-57-1.

Run AI retrosynthesis for Ethyl 5-oxohexanoate Target catalog AI tools overview

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Related targets

Similar compounds

Ethyl 3-oxohexanoate Isobutyl acetoacetate Methyl pivaloylacetate

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References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.