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Molecule record

1-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
78484

Functional groups

Alkane / alkyl carbon
Ether

Physical properties

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

Common names and synonyms

  • 1-Methoxy-Hexane
  • 1-Methoxyhexane, AldrichCPR
  • 225-263-0
  • 4747-07-3
  • DIOLA
  • DTXCID3040568
  • DTXSID3063594
  • Ether, hexyl methyl
Show all 24 synonyms
  • FEMA NO. 4291
  • Hexane, 1-methoxy-
  • Hexyl methyl ether
  • MFCD00015350
  • Methyl hexyl ether
  • Methyl-n-Hexyl ether
  • N-HEXYLMETHYLETHER
  • R99K6ANQ7T
  • RefChem:157892
  • SCHEMBL37875
  • SCHEMBL37876
  • SCHEMBL57896
  • SCHEMBL57897
  • UNII-R99K6ANQ7T
  • methoxyhexane
  • n-Hexyl Methyl Ether

Structure identifiers

Canonical SMILES
CCCCCCOC
Isomeric SMILES
CCCCCCOC
InChI
InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3
InChIKey
ICBJCVRQDSQPGI-UHFFFAOYSA-N
PubChem CID
78484

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 1-methoxyhexane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-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