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Molecule record

2-methyloctane

C9H20

128.26 g/mol

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Molecular properties

Formula
C9H20
Molar mass
128.26 g·mol−1
Exact mass
128.1565 Da
0
PubChem CID
18591

Functional groups

Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 2-METHYLOCTANE, 99%
  • 2-Methyl octane
  • 221-748-6
  • 30498-66-9
  • 3221-61-2
  • 34464-40-9
  • AV5KXW7I9L
  • DIMETHYLHEPTANE
Show all 24 synonyms
  • DTXCID20811791
  • DTXSID30863125
  • Dimethyl-Heptane
  • EINECS 221-748-6
  • EINECS 252-053-6
  • Heptane, dimethyl-
  • Isononane
  • METHYLOCTANE, 2-
  • MFCD00027307
  • NSC-23695
  • Octane, 2-methyl-
  • RefChem:1063840
  • SCHEMBL26418
  • SCHEMBL80277
  • SCHEMBL83990
  • UNII-AV5KXW7I9L

Structure identifiers

Canonical SMILES
CCCCCCC(C)C
Isomeric SMILES
CCCCCCC(C)C
InChI
InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3
InChIKey
ZUBZATZOEPUUQF-UHFFFAOYSA-N
PubChem CID
18591

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-methyloctane; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-methyloctane; 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