ChemArche
Sign inAccount

Molecule record

2-methylheptane

C8H18

114.23 g/mol

Loading structure

Molecular properties

Formula
C8H18
Molar mass
114.23 g·mol−1
Exact mass
114.1409 Da
0
PubChem CID
11594

Functional groups

Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 2,6-dimethylhexane
  • 2-Methylheptane, 98%
  • 2-methyl-heptane
  • 209-747-9
  • 28777-67-5
  • 592-27-8
  • DIMETHYLHEXANE
  • DTXCID7042566
Show all 24 synonyms
  • DTXSID2060460
  • EINECS 209-747-9
  • Heptane, 2-methyl-
  • Heptane, 2methyl
  • Hexane, dimethyl-
  • MFCD00009518
  • Methylheptane
  • NSC 24844
  • NSC24844
  • RefChem:476056
  • SCHEMBL15561
  • SCHEMBL23993
  • SCHEMBL26549
  • SCHEMBL43240
  • UNII-YU6SU8CCVB
  • YU6SU8CCVB

Structure identifiers

Canonical SMILES
CCCCCC(C)C
Isomeric SMILES
CCCCCC(C)C
InChI
InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3
InChIKey
JVSWJIKNEAIKJW-UHFFFAOYSA-N
PubChem CID
11594

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-methylheptane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-methylheptane; 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