3-Ethylhexane (C8H18)

3-Ethylhexane (C8H18; CAS 619-99-8) is a practical retrosynthesis target. 3-Ethylhexane presents a C8 framework. Open AI route search in one click below.

Target: 3-Ethylhexane
CAS: 619-99-8
Formula: C8H18
Approx. MW: 114.23
SMILES: CCCC(CC)CC
PubChem CID: 12096
Approx. carbons: C8

3-Ethylhexane structure

Properties

IUPAC name: 3-ethylhexane
Molecular weight: 114.23
Exact mass: 114.14
InChIKey: SFRKSDZMZHIISH-UHFFFAOYSA-N

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3-Ethylhexane 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 3-Ethylhexane?

3-Ethylhexane has molecular formula C8H18. Molecular weight about 114.23 g·mol⁻¹.

What is the CAS number of 3-Ethylhexane?

The CAS Registry Number for 3-Ethylhexane is 619-99-8.

Run AI retrosynthesis for 3-Ethylhexane Target catalog AI tools overview

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

Related targets

Similar compounds

3-Ethyl-2-methylpentane 4-Methylheptane Biisobutyl Hexamethylethane Octane Unii-G1eh35w01h

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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.