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Molecule record

3-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
28469

Functional groups

Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 17312-57-1
  • AKOS006274958
  • DODECANE,3-METHYL-
  • DTXCID70820813
  • DTXSID00873317
  • Dodecane, 3-methyl-
  • F3L2C5FRG8
  • LMFA11000393
Show all 21 synonyms
  • RefChem:504207
  • SCHEMBL102332
  • SCHEMBL102914
  • SCHEMBL16178853
  • SCHEMBL28314155
  • SCHEMBL3335779
  • SCHEMBL4806963
  • SCHEMBL5049765
  • SCHEMBL5683936
  • SCHEMBL5984502
  • SCHEMBL672783
  • UNII-F3L2C5FRG8
  • xi-3-Methyldodecane

Structure identifiers

Canonical SMILES
CCCCCCCCCC(C)CC
Isomeric SMILES
CCCCCCCCCC(C)CC
InChI
InChI=1S/C13H28/c1-4-6-7-8-9-10-11-12-13(3)5-2/h13H,4-12H2,1-3H3
InChIKey
GRJUENNHVNYCHD-UHFFFAOYSA-N
PubChem CID
28469

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-methyldodecane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-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