Molecule record

2-methylpentane

C6H14

86.18 g/mol

Loading structure

Molecular properties

Formula
C6H14
Molar mass
86.18 g·mol−1
Exact mass
86.1095 Da
0
PubChem CID
7892

Functional groups

Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 1,1-Dimethylbutane
  • 107-83-5
  • 2-Methyl pentane
  • 2-Methylpentane, analytical standard
  • 203-523-4
  • 43133-95-5
  • 49IB0U6MLD
  • 73513-42-5
Show all 24 synonyms
  • DTXCID509143
  • DTXSID4029143
  • Dimethylpropylmethane
  • EINECS 203-523-4
  • HSDB 1125
  • Isohexane
  • KYOWASOL C 600M
  • KYOWAZOL C 600
  • MFCD02179311
  • Methyl pentane
  • NSC-66496
  • Pentane, 2-methyl-
  • Pentane, methyl-
  • RefChem:88359
  • SOLVENT DEGREASER
  • iso-hexane

Structure identifiers

Canonical SMILES
CCCC(C)C
Isomeric SMILES
CCCC(C)C
InChI
InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
InChIKey
AFABGHUZZDYHJO-UHFFFAOYSA-N
PubChem CID
7892

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-methylpentane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-methylpentane; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record