Pentylene glycol (C5H12O2)

Pentylene glycol presents a C5 framework, alcohol functionality (formula C5H12O2, CAS 5343-92-0). ChemicalTool Reaction can propose ranked disconnections for Pentylene glycol from the SMILES CCCC(O)CO.

Target: Pentylene glycol
CAS: 5343-92-0
Formula: C5H12O2
Approx. MW: 104.15
SMILES: CCCC(O)CO
PubChem CID: 93000
Approx. carbons: C5

Pentylene glycol structure

Properties

IUPAC name: pentane-1,2-diol
Common names: 1,2-Pentanediol; 5343-92-0; Pentylene glycol; 1,2-Dihydroxypentane; 50C1307PZG; DTXSID10863522; NSC-513; RefChem:860099; DTXCID80812123; 226-285-3
Molecular weight: 104.15
Exact mass: 104.08
InChIKey: WCVRQHFDJLLWFE-UHFFFAOYSA-N

View on PubChem

Pentylene glycol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Pentylene glycol?

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

What is the CAS number of Pentylene glycol?

The CAS Registry Number for Pentylene glycol is 5343-92-0.

Run AI retrosynthesis for Pentylene glycol Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C5H12O2.

Related targets

Similar compounds

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

Browse the full target catalog

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.