ChemArche
Sign inAccount

Molecule record

4-methylundecane

C12H26

170.34 g/mol

Loading structure

Molecular properties

Formula
C12H26
Molar mass
170.34 g·mol−1
Exact mass
170.2035 Da
0
PubChem CID
520454

Functional groups

Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 2980-69-0
  • CHEBI:84250
  • DTXCID30965077
  • DTXSID00334357
  • KNMXZGDUJVOTOC-UHFFFAOYSA-N
  • Q27157618
  • RefChem:99976
  • SCHEMBL12483541
Show all 19 synonyms
  • SCHEMBL181032
  • SCHEMBL199060
  • SCHEMBL202235
  • SCHEMBL21293885
  • SCHEMBL3847330
  • SCHEMBL4472486
  • SCHEMBL5686549
  • SCHEMBL5986630
  • SCHEMBL8299370
  • SCHEMBL9442352
  • Undecane, 4-methyl-

Structure identifiers

Canonical SMILES
CCCCCCCC(C)CCC
Isomeric SMILES
CCCCCCCC(C)CCC
InChI
InChI=1S/C12H26/c1-4-6-7-8-9-11-12(3)10-5-2/h12H,4-11H2,1-3H3
InChIKey
KNMXZGDUJVOTOC-UHFFFAOYSA-N
PubChem CID
520454

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-methylundecane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-methylundecane; 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
4-methylundecane - Formula, Structure | ChemArche