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Molecule record

3-methylpentane

C6H14

86.18 g/mol

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Molecular properties

Formula
C6H14
Molar mass
86.18 g·mol−1
Exact mass
86.1095 Da
0
PubChem CID
7282

Functional groups

Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 1,2-DIMETHYLBUTENE
  • 202-481-4
  • 3-Methyl-pentane
  • 3-Methylpentane, >=99%
  • 96-14-0
  • AI3-28852
  • CHEBI:88373
  • DTXCID9031220
Show all 24 synonyms
  • DTXSID8052647
  • Diethylmethylmethane
  • EINECS 202-481-4
  • HSDB 5300
  • MFCD00009342
  • NSC-66497
  • Pentane, 3-methyl-
  • RefChem:94946
  • SCHEMBL23426
  • SCHEMBL38014
  • SCHEMBL7571
  • SCHEMBL7653
  • SCHEMBL7654
  • SCHEMBL7749
  • UNII-XD8O3ML76T
  • XD8O3ML76T

Structure identifiers

Canonical SMILES
CCC(C)CC
Isomeric SMILES
CCC(C)CC
InChI
InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3
InChIKey
PFEOZHBOMNWTJB-UHFFFAOYSA-N
PubChem CID
7282

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-methylpentane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-methylpentane; 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