Ethyl 3-oxohexanoate (C8H14O3)

Ethyl 3-oxohexanoate presents a C8 framework, an ester (formula C8H14O3, CAS 3249-68-1). ChemicalTool Reaction can propose ranked disconnections for Ethyl 3-oxohexanoate from the SMILES CCCC(=O)CC(=O)OCC.

Target: Ethyl 3-oxohexanoate
CAS: 3249-68-1
Formula: C8H14O3
Approx. MW: 158.20
SMILES: CCCC(=O)CC(=O)OCC
PubChem CID: 238498
Approx. carbons: C8

Ethyl 3-oxohexanoate structure

Properties

Molecular weight: 158.20

View on PubChem

Ethyl 3-oxohexanoate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Ethyl 3-oxohexanoate?

Ethyl 3-oxohexanoate has molecular formula C8H14O3. Molecular weight about 158.20 g·mol⁻¹.

What is the CAS number of Ethyl 3-oxohexanoate?

The CAS Registry Number for Ethyl 3-oxohexanoate is 3249-68-1.

Run AI retrosynthesis for Ethyl 3-oxohexanoate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C8H14O3.

Related targets

Similar compounds

Isobutyl acetoacetate 4-Methyl-2-Pentyl Acetate Butyl Methacrylate Diethyl acetylenedicarboxylate Diethyl bromomethylmalonate Diethyl Malate

Browse the full target catalog

References & tools

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