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Molecule record

3-methylhexane

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
11507

Functional groups

Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • (S)-(+)-3-methylhexane
  • 1J3ZK6L6VY
  • 2-Ethylpentane
  • 209-643-3
  • 3-Methylhexane, 99%
  • 3-methyl hexane
  • 589-34-4
  • CHEBI:143848
Show all 24 synonyms
  • DTXCID308974
  • DTXSID3044334
  • EINECS 209-643-3
  • Hexane, 3-methyl-
  • MFCD00009408
  • NSC-73937
  • NSC73937
  • RefChem:94918
  • SCHEMBL27635
  • SCHEMBL38110
  • SCHEMBL38447
  • SCHEMBL38448
  • SCHEMBL38508
  • SCHEMBL42724
  • SCHEMBL56822
  • UNII-1J3ZK6L6VY

Structure identifiers

Canonical SMILES
CCCC(C)CC
Isomeric SMILES
CCCC(C)CC
InChI
InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
InChIKey
VLJXXKKOSFGPHI-UHFFFAOYSA-N
PubChem CID
11507

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-methylhexane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-methylhexane; 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