CT
ChemicalTool Reaction
Retrosynthesis · AI + evidence

4-Methylheptane (C8H18)

Looking for routes to 4-Methylheptane? 4-Methylheptane presents a C8 framework. Use the planner with prefilled SMILES, or copy CCCC(C)CCC (CAS 589-53-7).

Target
4-Methylheptane
CAS
589-53-7
Formula
C8H18
Approx. MW
114.23
SMILES
CCCC(C)CCC
PubChem CID
11512
Approx. carbons
C8

4-Methylheptane structure

Properties

Molecular weight
114.23

View on PubChem

4-Methylheptane 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Methylheptane?

4-Methylheptane has molecular formula C8H18. Molecular weight about 114.23 g·mol⁻¹.

What is the CAS number of 4-Methylheptane?

The CAS Registry Number for 4-Methylheptane is 589-53-7.

Run AI retrosynthesis for 4-Methylheptane Target catalog AI tools overview

One click loads 4-Methylheptane into ChemicalTool Reaction for route exploration.

Related targets

Similar compounds

3-Ethyl-2-methylpentane3-EthylhexaneBiisobutylHexamethylethaneOctaneUnii-G1eh35w01h

Browse the full target catalog

References & tools