Neohexene (C6H12)

Neohexene presents a C6 framework, unsaturation (formula C6H12, CAS 558-37-2). ChemicalTool Reaction can propose ranked disconnections for Neohexene from the SMILES C=CC(C)(C)C.

Target: Neohexene
CAS: 558-37-2
Formula: C6H12
Approx. MW: 84.16
SMILES: C=CC(C)(C)C
PubChem CID: 11210
Approx. carbons: C6

Neohexene structure

Properties

Molecular weight: 84.16

View on PubChem

Neohexene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Neohexene?

Neohexene has molecular formula C6H12. Molecular weight about 84.16 g·mol⁻¹.

What is the CAS number of Neohexene?

The CAS Registry Number for Neohexene is 558-37-2.

Run AI retrosynthesis for Neohexene Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H12.

Related targets

Similar compounds

2-Methyl-1-Pentene 4-Methyl-1-Pentene 2,3-dimethyl-2-butene Cyclohexane Methylcyclopentane

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.