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Molecule record

3-ethylhexane

C8H18

114.23 g/mol

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Molecular properties

Formula
C8H18
Molar mass
114.23 g·mol−1
Exact mass
114.1409 Da
0
PubChem CID
12096

Functional groups

Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 1,1-diethylbutane
  • 210-621-0
  • 3-ethyl-hexane
  • 619-99-8
  • 8JH9HL7N4H
  • DTXCID5043186
  • DTXSID6060713
  • EINECS 210-621-0
Show all 24 synonyms
  • Hexane, 3-ethyl-
  • InChI=1/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H
  • NSC-74175
  • NSC74175
  • RefChem:93858
  • SCHEMBL104645
  • SCHEMBL130302
  • SCHEMBL43145
  • SCHEMBL43847
  • SCHEMBL497824
  • SCHEMBL498637
  • SCHEMBL82508
  • SCHEMBL82509
  • SCHEMBL84190
  • SFRKSDZMZHIISH-UHFFFAOYSA-N
  • UNII-8JH9HL7N4H

Structure identifiers

Canonical SMILES
CCCC(CC)CC
Isomeric SMILES
CCCC(CC)CC
InChI
InChI=1S/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H3
InChIKey
SFRKSDZMZHIISH-UHFFFAOYSA-N
PubChem CID
12096

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-ethylhexane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-ethylhexane; 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