Allyl hexanoate (C9H16O2)

Looking for routes to Allyl hexanoate? Allyl hexanoate presents a C9 framework, unsaturation. Use the planner with prefilled SMILES, or copy C=CCOC(=O)CCCCC (CAS 123-68-2).

Target: Allyl hexanoate
CAS: 123-68-2
Formula: C9H16O2
Approx. MW: 156.23
SMILES: C=CCOC(=O)CCCCC
PubChem CID: 31266
Approx. carbons: C9

Allyl hexanoate structure

Properties

IUPAC name: prop-2-enyl hexanoate
Common names: Allyl hexanoate; 123-68-2; Allyl caproate; Hexanoic acid, allyl ester; prop-2-enyl hexanoate; FEMA No. 2032; 3VH84A363D; NSC-20962; DTXSID1047653; RefChem:110871
Molecular weight: 156.22
Exact mass: 156.12
InChIKey: RCSBILYQLVXLJG-UHFFFAOYSA-N
Boiling point: 185.00 °C. @ 760.00 mm Hg
Density: 0.884-0.890

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Allyl hexanoate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Allyl hexanoate?

Allyl hexanoate has molecular formula C9H16O2. Molecular weight about 156.23 g·mol⁻¹.

What is the CAS number of Allyl hexanoate?

The CAS Registry Number for Allyl hexanoate is 123-68-2.

Run AI retrosynthesis for Allyl hexanoate Target catalog AI tools overview

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Related targets

Similar compounds

Cyclohexyl Propionate Gamma-nonalactone Methyl cyclohexylacetate

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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.