Isobutyl 2-methylvalerate (C10H20O2)

Isobutyl 2-methylvalerate presents a C10 framework, an ester (formula C10H20O2, CAS 6297-42-3). ChemicalTool Reaction can propose ranked disconnections for Isobutyl 2-methylvalerate from the SMILES CCCC(C)C(=O)OCC(C)C.

Target: Isobutyl 2-methylvalerate
CAS: 6297-42-3
Formula: C10H20O2
Approx. MW: 172.27
SMILES: CCCC(C)C(=O)OCC(C)C
PubChem CID: 226902
Approx. carbons: C10

Isobutyl 2-methylvalerate structure

Properties

Molecular weight: 172.27

View on PubChem

Isobutyl 2-methylvalerate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isobutyl 2-methylvalerate?

Isobutyl 2-methylvalerate has molecular formula C10H20O2. Molecular weight about 172.27 g·mol⁻¹.

What is the CAS number of Isobutyl 2-methylvalerate?

The CAS Registry Number for Isobutyl 2-methylvalerate is 6297-42-3.

Run AI retrosynthesis for Isobutyl 2-methylvalerate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C10H20O2.

Related targets

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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.