2-Octanone (C8H16O)

2-Octanone (C8H16O; CAS 111-13-7) is a practical retrosynthesis target. 2-Octanone presents a C8 framework. Open AI route search in one click below.

Target: 2-Octanone
CAS: 111-13-7
Formula: C8H16O
Approx. MW: 128.22
SMILES: CCCCCCC(C)=O
PubChem CID: 8093
Approx. carbons: C8

2-Octanone structure

Properties

Molecular weight: 128.22

View on PubChem

2-Octanone 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Octanone?

2-Octanone has molecular formula C8H16O. Molecular weight about 128.22 g·mol⁻¹.

What is the CAS number of 2-Octanone?

The CAS Registry Number for 2-Octanone is 111-13-7.

Run AI retrosynthesis for 2-Octanone Target catalog AI tools overview

One click loads 2-Octanone into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

2-Cyclohexylethanol 2-Hexyloxirane 2-Methyl-3-Heptanone 2-Methyl-4-heptanone 5-Methylheptan-3-one 6-Methylheptan-2-one

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.