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Molecule record

3-methylundecane

C12H26

170.34 g/mol

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Molecular properties

Formula
C12H26
Molar mass
170.34 g·mol−1
Exact mass
170.2035 Da
0
PubChem CID
13845

Functional groups

Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 1-Butyl-3-ethylimidazolium 1,1,2,2-tetrafluoroethanesulfonate, >98%
  • 1002-43-3
  • 2-Ethyl-decane
  • 678-596-2
  • BAA00243
  • DTXCID40811258
  • DTXSID40862508
  • HTZWVZNRDDOFEI-UHFFFAOYSA-N
Show all 24 synonyms
  • Nonane, ethylmethyl-
  • RefChem:94977
  • SCHEMBL100742
  • SCHEMBL1901792
  • SCHEMBL199645
  • SCHEMBL21293883
  • SCHEMBL450926
  • SCHEMBL453968
  • SCHEMBL5684592
  • SCHEMBL582532
  • SCHEMBL5985490
  • SCHEMBL6061890
  • SCHEMBL6266733
  • SCHEMBL9212506
  • Undecane, 3-methyl-
  • Undecane, 3methyl

Structure identifiers

Canonical SMILES
CCCCCCCCC(C)CC
Isomeric SMILES
CCCCCCCCC(C)CC
InChI
InChI=1S/C12H26/c1-4-6-7-8-9-10-11-12(3)5-2/h12H,4-11H2,1-3H3
InChIKey
HTZWVZNRDDOFEI-UHFFFAOYSA-N
PubChem CID
13845

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-methylundecane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-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