Pentamethylene glycol (C5H12O2)

Pentamethylene glycol presents a C5 framework, alcohol functionality (formula C5H12O2, CAS 111-29-5). ChemicalTool Reaction can propose ranked disconnections for Pentamethylene glycol from the SMILES OCCCCCO.

Target: Pentamethylene glycol
CAS: 111-29-5
Formula: C5H12O2
Approx. MW: 104.15
SMILES: OCCCCCO
PubChem CID: 8105
Approx. carbons: C5

Pentamethylene glycol structure

Properties

IUPAC name: pentane-1,5-diol
Molecular weight: 104.15
Exact mass: 104.08
InChIKey: ALQSHHUCVQOPAS-UHFFFAOYSA-N

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Pentamethylene glycol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Pentamethylene glycol?

Pentamethylene glycol has molecular formula C5H12O2. Molecular weight about 104.15 g·mol⁻¹.

What is the CAS number of Pentamethylene glycol?

The CAS Registry Number for Pentamethylene glycol is 111-29-5.

Run AI retrosynthesis for Pentamethylene glycol Target catalog AI tools overview

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Related targets

Similar compounds

1-Methoxy-2-Butanol 3-Methoxybutan-1-ol Isopentyldiol Isopropylethanediol Neopentyl glycol Pentylene glycol

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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.