Octane (C8H18)
Looking for routes to Octane?
Octane presents a C8 framework. Use the planner with prefilled SMILES, or copy
CCCCCCCC
(CAS 111-65-9).
Properties
Octane 1H / 13C NMR spectrum →
FAQ
What is the chemical formula of Octane?
Octane has molecular formula C8H18. Molecular weight about 114.23 g·mol⁻¹.
What is the CAS number of Octane?
The CAS Registry Number for Octane is 111-65-9.
Start from this SMILES and explore AI retrosynthesis routes for C8H18.
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.