Octane (C8H18)

Looking for routes to Octane? Octane presents a C8 framework. Use the planner with prefilled SMILES, or copy CCCCCCCC (CAS 111-65-9).

Octane structure

Properties

IUPAC name: octane
Common names: octane; n-octane; 111-65-9; Oktan; Oktanen; Ottani; DTXSID0026882; X1RV0B2FJV; NSC-9822; DTXCID406882
Molecular weight: 114.23
Exact mass: 114.14
InChIKey: TVMXDCGIABBOFY-UHFFFAOYSA-N
Melting point: -70.2 °F (USCG, 1999)
Boiling point: 258.1 °F at 760 mmHg (USCG, 1999)
Density: 0.703 at 68 °F (USCG, 1999) - Less dense than water; will float

What is the chemical formula of Octane?

Octane has molecular formula C8H18. Molecular weight about 114.23 g·mol⁻¹.

What is the CAS number of Octane?

The CAS Registry Number for Octane is 111-65-9.

Start from this SMILES and explore AI retrosynthesis routes for C8H18.

Similar compounds

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.