Isoamyl isovalerate (C10H20O2)

Isoamyl Isovalerate (C10H20O2; CAS 659-70-1) is a practical retrosynthesis target. Isoamyl Isovalerate presents a C10 framework. Open AI route search in one click below.

Target: Isoamyl isovalerate
CAS: 659-70-1
Formula: C10H20O2
Approx. MW: 172.27
SMILES: CC(C)CCOC(=O)CC(C)C
PubChem CID: 12613
Approx. carbons: C10

Isoamyl isovalerate structure

Properties

IUPAC name: 3-methylbutyl 3-methylbutanoate
Common names: ISOAMYL ISOVALERATE; 659-70-1; Isopentyl 3-methylbutanoate; 3-Methylbutyl 3-methylbutanoate; Isopentyl isopentanoate; Solusterol; Isopentyl isovalerate; Apple essence; Isoamyl valerianate; iso-Amyl isovalerate
Molecular weight: 172.26
Exact mass: 172.15
InChIKey: XINCECQTMHSORG-UHFFFAOYSA-N
Boiling point: 190.00 to 191.00 °C. @ 760.00 mm Hg
Density: 0.851 - 0.857

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Isoamyl isovalerate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isoamyl isovalerate?

Isoamyl isovalerate has molecular formula C10H20O2. Molecular weight about 172.27 g·mol⁻¹.

What is the CAS number of Isoamyl isovalerate?

The CAS Registry Number for Isoamyl isovalerate is 659-70-1.

Run AI retrosynthesis for Isoamyl isovalerate Target catalog AI tools overview

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

Related targets

Similar compounds

2-ethylbutyl butanoate 2-methylpropyl 2-ethylbutanoate Butyl 2-methylvalerate Decanoic acid Ethyl 2-ethylhexanoate Isobutyl 2-methylvalerate

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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.