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Molecule record

3-ethylheptane

C9H20

128.26 g/mol

Loading structure

Molecular properties

Formula
C9H20
Molar mass
128.26 g·mol−1
Exact mass
128.1565 Da
0
PubChem CID
51806

Functional groups

Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 15869-80-4
  • 3-ethyl-heptane
  • 3-ethylhepane
  • 73507-01-4
  • DTXCID30818913
  • DTXSID50871242
  • Heptane, 3-ethyl-
  • Heptane, 3ethyl
Show all 24 synonyms
  • PSVQKOKKLWHNRP-UHFFFAOYSA-N
  • RefChem:93851
  • SCHEMBL103963
  • SCHEMBL11148095
  • SCHEMBL26822
  • SCHEMBL26823
  • SCHEMBL387000
  • SCHEMBL387001
  • SCHEMBL3889274
  • SCHEMBL4618360
  • SCHEMBL4618371
  • SCHEMBL5984602
  • SCHEMBL640642
  • SCHEMBL6684383
  • SCHEMBL812169
  • SCHEMBL99803

Structure identifiers

Canonical SMILES
CCCCC(CC)CC
Isomeric SMILES
CCCCC(CC)CC
InChI
InChI=1S/C9H20/c1-4-7-8-9(5-2)6-3/h9H,4-8H2,1-3H3
InChIKey
PSVQKOKKLWHNRP-UHFFFAOYSA-N
PubChem CID
51806

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-ethylheptane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-ethylheptane; 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