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Molecule record

3-methoxyhexane

C7H16O

116.20 g/mol

Loading structure

Molecular properties

Formula
C7H16O
Molar mass
116.20 g·mol−1
Exact mass
116.1201 Da
0
PubChem CID
542372

Functional groups

Alkane / alkyl carbon
Ether

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1-Ethylbutyl methyl ether #
  • 3-hexyl-methylether
  • 54658-01-4
  • DB-304681
  • DTXCID60288483
  • DTXSID70337395
  • Hexane, 3-methoxy-
  • QNJRNZBXNCPKHQ-UHFFFAOYSA-N
Show all 17 synonyms
  • RefChem:1068146
  • SCHEMBL10493541
  • SCHEMBL1420864
  • SCHEMBL383523
  • SCHEMBL386094
  • SCHEMBL496588
  • SCHEMBL496590
  • SCHEMBL7556796
  • SCHEMBL9662318

Structure identifiers

Canonical SMILES
CCCC(CC)OC
Isomeric SMILES
CCCC(CC)OC
InChI
InChI=1S/C7H16O/c1-4-6-7(5-2)8-3/h7H,4-6H2,1-3H3
InChIKey
QNJRNZBXNCPKHQ-UHFFFAOYSA-N
PubChem CID
542372

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 3-methoxyhexane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-methoxyhexane; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record