1-Hexanol (C6H14O)

1-Hexanol presents a C6 framework, alcohol functionality (formula C6H14O, CAS 111-27-3). ChemicalTool Reaction can propose ranked disconnections for 1-Hexanol from the SMILES CCCCCCO.

Target: 1-Hexanol
CAS: 111-27-3
Formula: C6H14O
Approx. MW: 102.18
SMILES: CCCCCCO
PubChem CID: 8103
Approx. carbons: C6

1-Hexanol structure

Properties

IUPAC name: hexan-1-ol
Molecular weight: 102.17
Exact mass: 102.10
InChIKey: ZSIAUFGUXNUGDI-UHFFFAOYSA-N

View on PubChem

1-Hexanol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 1-Hexanol?

1-Hexanol has molecular formula C6H14O. Molecular weight about 102.18 g·mol⁻¹.

What is the CAS number of 1-Hexanol?

The CAS Registry Number for 1-Hexanol is 111-27-3.

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

Start from this SMILES and explore AI retrosynthesis routes for C6H14O.

Related targets

Similar compounds

2-Methyl-3-Pentanol 3-Methyl-2-Pentanol 4-Methyl-1-Pentanol Thexyl alcohol 1-(2-Hydroxyethyl)pyrrolidin-2-one 1-Hexen-3-Ol

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.