1-Iodohexane (C6H13I)

1-Iodohexane presents a C6 framework, halogen substitution (formula C6H13I, CAS 638-45-9). ChemicalTool Reaction can propose ranked disconnections for 1-Iodohexane from the SMILES CCCCCCI.

Target: 1-Iodohexane
CAS: 638-45-9
Formula: C6H13I
Approx. MW: 212.07
SMILES: CCCCCCI
PubChem CID: 12527
Approx. carbons: C6

1-Iodohexane structure

Properties

Molecular weight: 212.07

View on PubChem

1-Iodohexane 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 1-Iodohexane?

1-Iodohexane has molecular formula C6H13I. Molecular weight about 212.07 g·mol⁻¹.

What is the CAS number of 1-Iodohexane?

The CAS Registry Number for 1-Iodohexane is 638-45-9.

Run AI retrosynthesis for 1-Iodohexane Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H13I.

Related targets

Similar compounds

1-Bromo-2-ethylbutane 1-Bromo-6-chlorohexane 1-Bromohexane 1-Chlorohexane 1-Chloropinacolone 2-(Nonafluorobutyl)ethyl Iodide

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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.