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Molecule record

3-ethyloctane

C10H22

142.29 g/mol

Loading structure

Molecular properties

Formula
C10H22
Molar mass
142.29 g·mol−1
Exact mass
142.1721 Da
0
PubChem CID
79985

Functional groups

Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 3-ETHYL OCTANE
  • 5881-17-4
  • 622-323-1
  • AKOS006274076
  • DTXCID7042483
  • DTXSID5064049
  • LS-13904
  • OEYGTUAKNZFCDJ-UHFFFAOYSA-N
Show all 24 synonyms
  • Octane, 3-ethyl-
  • Q5651955
  • RefChem:93861
  • SCHEMBL1004202
  • SCHEMBL100729
  • SCHEMBL10524241
  • SCHEMBL10670984
  • SCHEMBL1128089
  • SCHEMBL11809739
  • SCHEMBL1447691
  • SCHEMBL148169
  • SCHEMBL28037234
  • SCHEMBL3053710
  • SCHEMBL598336
  • SCHEMBL5986553
  • SCHEMBL78343

Structure identifiers

Canonical SMILES
CCCCCC(CC)CC
Isomeric SMILES
CCCCCC(CC)CC
InChI
InChI=1S/C10H22/c1-4-7-8-9-10(5-2)6-3/h10H,4-9H2,1-3H3
InChIKey
OEYGTUAKNZFCDJ-UHFFFAOYSA-N
PubChem CID
79985

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-ethyloctane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-ethyloctane; 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