Isobutyl acetoacetate (C8H14O3)

Isobutyl acetoacetate presents a C8 framework, an ester (formula C8H14O3, CAS 7779-75-1). ChemicalTool Reaction can propose ranked disconnections for Isobutyl acetoacetate from the SMILES CC(=O)CC(=O)OCC(C)C.

Target: Isobutyl acetoacetate
CAS: 7779-75-1
Formula: C8H14O3
Approx. MW: 158.20
SMILES: CC(=O)CC(=O)OCC(C)C
PubChem CID: 522677
Approx. carbons: C8

Isobutyl acetoacetate structure

Properties

Molecular weight: 158.20

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Isobutyl acetoacetate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isobutyl acetoacetate?

Isobutyl acetoacetate has molecular formula C8H14O3. Molecular weight about 158.20 g·mol⁻¹.

What is the CAS number of Isobutyl acetoacetate?

The CAS Registry Number for Isobutyl acetoacetate is 7779-75-1.

Run AI retrosynthesis for Isobutyl acetoacetate Target catalog AI tools overview

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Related targets

Similar compounds

Ethyl 3-oxohexanoate 4-Methyl-2-Pentyl Acetate Butyl Methacrylate Diethyl acetylenedicarboxylate Diethyl bromomethylmalonate Diethyl Malate

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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.