Ethyl 2-acetylhexanoate (C10H18O3)

Ethyl 2-acetylhexanoate presents a C10 framework, an ester (formula C10H18O3, CAS 1540-29-0). ChemicalTool Reaction can propose ranked disconnections for Ethyl 2-acetylhexanoate from the SMILES CCCCC(C(C)=O)C(=O)OCC.

Target: Ethyl 2-acetylhexanoate
CAS: 1540-29-0
Formula: C10H18O3
Approx. MW: 186.25
SMILES: CCCCC(C(C)=O)C(=O)OCC
PubChem CID: 95466
Approx. carbons: C10

Ethyl 2-acetylhexanoate structure

Properties

Molecular weight: 186.25

View on PubChem

Ethyl 2-acetylhexanoate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Ethyl 2-acetylhexanoate?

Ethyl 2-acetylhexanoate has molecular formula C10H18O3. Molecular weight about 186.25 g·mol⁻¹.

What is the CAS number of Ethyl 2-acetylhexanoate?

The CAS Registry Number for Ethyl 2-acetylhexanoate is 1540-29-0.

Run AI retrosynthesis for Ethyl 2-acetylhexanoate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C10H18O3.

Related targets

Similar compounds

Isovaleric anhydride Trimethylacetic anhydride Valeric anhydride 2-(Diethylamino)ethyl methacrylate 2-Cyclohexylethyl acetate 2-ethylbutyl butanoate

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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.