Isopentyldiol (C5H12O2)

Isopentyldiol presents a C5 framework, alcohol functionality (formula C5H12O2, CAS 2568-33-4). ChemicalTool Reaction can propose ranked disconnections for Isopentyldiol from the SMILES CC(C)(O)CCO.

Target: Isopentyldiol
CAS: 2568-33-4
Formula: C5H12O2
Approx. MW: 104.15
SMILES: CC(C)(O)CCO
PubChem CID: 247470
Approx. carbons: C5

Isopentyldiol structure

Properties

IUPAC name: 3-methylbutane-1,3-diol
Common names: 3-methylbutane-1,3-diol; 3-Methyl-1,3-butanediol; 2568-33-4; Isopentyldiol; 1,3-Butanediol, 3-methyl-; isoprene glycol; 3-hydroxy-3-methylbutanol; ISOPENTYL DIOL; NSC-62084; 19NOL5474Q
Molecular weight: 104.15
Exact mass: 104.08
InChIKey: XPFCZYUVICHKDS-UHFFFAOYSA-N

View on PubChem

Isopentyldiol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Isopentyldiol?

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

What is the CAS number of Isopentyldiol?

The CAS Registry Number for Isopentyldiol is 2568-33-4.

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Related targets

Similar compounds

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