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Molecule record

4-methyldodecane

C13H28

184.37 g/mol

Loading structure

Molecular properties

Formula
C13H28
Molar mass
184.37 g·mol−1
Exact mass
184.2191 Da
0
PubChem CID
521958

Functional groups

Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 4-METHYLDODECANE 98+%
  • 4-methyl-dodecane
  • 6117-97-1
  • 678-595-7
  • AS-92323
  • CHEBI:229452
  • CS-0205047
  • DTXCID9032325
Show all 24 synonyms
  • DTXSID1058638
  • Dodecane, 4-methyl-
  • M0238
  • MFCD00048968
  • RefChem:135417
  • SCHEMBL100559
  • SCHEMBL101542
  • SCHEMBL10496966
  • SCHEMBL12484810
  • SCHEMBL450698
  • SCHEMBL5496932
  • SCHEMBL5684301
  • SCHEMBL5984296
  • UZTXSMATBUWDDZ-UHFFFAOYSA-N
  • dodecane,4-methyl-
  • methyldodecane

Structure identifiers

Canonical SMILES
CCCCCCCCC(C)CCC
Isomeric SMILES
CCCCCCCCC(C)CCC
InChI
InChI=1S/C13H28/c1-4-6-7-8-9-10-12-13(3)11-5-2/h13H,4-12H2,1-3H3
InChIKey
UZTXSMATBUWDDZ-UHFFFAOYSA-N
PubChem CID
521958

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 4-methyldodecane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-methyldodecane; 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