Hexane (C6H14)

Hexane presents a C6 framework (formula C6H14, CAS 110-54-3). ChemicalTool Reaction can propose ranked disconnections for Hexane from the SMILES CCCCCC.

Target: Hexane
CAS: 110-54-3
Formula: C6H14
Approx. MW: 86.18
SMILES: CCCCCC
PubChem CID: 8058
Approx. carbons: C6

Hexane structure

Properties

IUPAC name: hexane
Common names: HEXANE; n-Hexane; 110-54-3; Skellysolve B; Esani; Gettysolve-B; Hexyl hydride; Dipropyl; Hexanen; Heksan
Molecular weight: 86.18
Exact mass: 86.11
InChIKey: VLKZOEOYAKHREP-UHFFFAOYSA-N
Melting point: -139 °F (NTP, 1992)
Boiling point: 156 °F at 760 mmHg (NTP, 1992)
Density: 0.659 at 68 °F (USCG, 1999) - Less dense than water; will float

View on PubChem

Hexane 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Hexane?

Hexane has molecular formula C6H14. Molecular weight about 86.18 g·mol⁻¹.

What is the CAS number of Hexane?

The CAS Registry Number for Hexane is 110-54-3.

Run AI retrosynthesis for Hexane Target catalog AI tools overview

Open the planner with Hexane preloaded, then keep routes that match CAS 110-54-3.

Related targets

Similar compounds

Diisopropyl

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.