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Molecule record

3-methoxyoctane

C9H20O

144.26 g/mol

Loading structure

Molecular properties

Formula
C9H20O
Molar mass
144.26 g·mol−1
Exact mass
144.1514 Da
0
PubChem CID
552084

Functional groups

Alkane / alkyl carbon
Ether

Physical properties

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

Common names and synonyms

  • 1-Ethylhexyl methyl ether #
  • 54658-02-5
  • DB-304682
  • DTXCID00290020
  • DTXSID20338938
  • FRFFONQXEGIMOW-UHFFFAOYSA-N
  • Octane, 3-methoxy-
  • RefChem:366829
Show all 13 synonyms
  • SCHEMBL383926
  • SCHEMBL385374
  • SCHEMBL6438752
  • SCHEMBL727992
  • SCHEMBL8866525

Structure identifiers

Canonical SMILES
CCCCCC(CC)OC
Isomeric SMILES
CCCCCC(CC)OC
InChI
InChI=1S/C9H20O/c1-4-6-7-8-9(5-2)10-3/h9H,4-8H2,1-3H3
InChIKey
FRFFONQXEGIMOW-UHFFFAOYSA-N
PubChem CID
552084

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-methoxyoctane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-methoxyoctane; 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
3-methoxyoctane - Formula, Structure | ChemArche