Isopropyl isobutyrate (C7H14O2)

Looking for routes to Isopropyl Isobutyrate? Isopropyl Isobutyrate presents a C7 framework. Use the planner with prefilled SMILES, or copy CC(C)OC(=O)C(C)C (CAS 617-50-5).

Target: Isopropyl isobutyrate
CAS: 617-50-5
Formula: C7H14O2
Approx. MW: 130.19
SMILES: CC(C)OC(=O)C(C)C
PubChem CID: 12044
Approx. carbons: C7

Isopropyl isobutyrate structure

Properties

Molecular weight: 130.19

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Isopropyl isobutyrate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isopropyl isobutyrate?

Isopropyl isobutyrate has molecular formula C7H14O2. Molecular weight about 130.19 g·mol⁻¹.

What is the CAS number of Isopropyl isobutyrate?

The CAS Registry Number for Isopropyl isobutyrate is 617-50-5.

Run AI retrosynthesis for Isopropyl isobutyrate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C7H14O2.

Related targets

Similar compounds

2-Methylbutyl Acetate 2-Methylhexanoic Acid 2-Methylpentyl Formate

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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.