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Molecule record

3-ethylpentane

C7H16

100.20 g/mol

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Molecular properties

Formula
C7H16
Molar mass
100.20 g·mol−1
Exact mass
100.1252 Da
0
PubChem CID
12048

Functional groups

Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 210-529-0
  • 3-ethyl-pentane
  • 3-ethylpentan
  • 3-etilpentano
  • 617-78-7
  • AORMDLNPRGXHHL-UHFFFAOYSA-N
  • CHEBI:165737
  • DTXCID3043106
Show all 24 synonyms
  • DTXSID8073211
  • EINECS 210-529-0
  • InChI=1/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H
  • KN826QW56K
  • MFCD00027083
  • NSC 74151
  • Pentane, 3-ethyl-
  • Pentane, 3-ethyl-(8CI)
  • Pentane, 3-ethyl-(8CI)(9CI)
  • Pentane, 3ethyl
  • RefChem:93862
  • SCHEMBL38270
  • SCHEMBL72671
  • SCHEMBL72672
  • Triethylmethane
  • UNII-KN826QW56K

Structure identifiers

Canonical SMILES
CCC(CC)CC
Isomeric SMILES
CCC(CC)CC
InChI
InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3
InChIKey
AORMDLNPRGXHHL-UHFFFAOYSA-N
PubChem CID
12048

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-ethylpentane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-ethylpentane; 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