5-Methylheptan-3-one (C8H16O)

Looking for routes to 5-Methylheptan-3-one? 5-Methylheptan-3-one presents a C8 framework. Use the planner with prefilled SMILES, or copy CCC(=O)CC(C)CC (CAS 541-85-5).

Target: 5-Methylheptan-3-one
CAS: 541-85-5
Formula: C8H16O
Approx. MW: 128.22
SMILES: CCC(=O)CC(C)CC
PubChem CID: 7822
Approx. carbons: C8

5-Methylheptan-3-one structure

Properties

Molecular weight: 128.22

View on PubChem

5-Methylheptan-3-one 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 5-Methylheptan-3-one?

5-Methylheptan-3-one has molecular formula C8H16O. Molecular weight about 128.22 g·mol⁻¹.

What is the CAS number of 5-Methylheptan-3-one?

The CAS Registry Number for 5-Methylheptan-3-one is 541-85-5.

Run AI retrosynthesis for 5-Methylheptan-3-one Target catalog AI tools overview

Open the planner with 5-Methylheptan-3-one preloaded, then keep routes that match CAS 541-85-5.

Related targets

Similar compounds

2-Cyclohexylethanol 2-Hexyloxirane 2-Methyl-3-Heptanone 2-Methyl-4-heptanone 2-Octanone 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.