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Molecule record

2-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
11582

Functional groups

Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 2-Methylhexane, 99%
  • 2-methyl-hexane
  • 209-730-6
  • 31394-54-4
  • 591-76-4
  • D 726
  • DTXSID5052256
  • EC 250-610-8
Show all 24 synonyms
  • EINECS 209-730-6
  • EINECS 250-610-8
  • Hexane, 2-methyl-
  • ISOHEPTANE
  • Isobepane
  • MFCD00009487
  • NSC-24840
  • RefChem:1113269
  • SCHEMBL25258
  • SCHEMBL26303
  • SCHEMBL26304
  • SCHEMBL38852
  • SCHEMBL38853
  • SCHEMBL83485
  • UNII-YI4679P2SP
  • YI4679P2SP

Structure identifiers

Canonical SMILES
CCCCC(C)C
Isomeric SMILES
CCCCC(C)C
InChI
InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
InChIKey
GXDHCNNESPLIKD-UHFFFAOYSA-N
PubChem CID
11582

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 2-methylhexane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-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