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Molecule record

2-TRIDECANONE

C13H26O

198.34 g/mol

2D structure for 2-TRIDECANONE

Molecular properties

Formula
C13H26O
Molar mass
198.34 g·mol−1
Exact mass
198.1984 Da
1
0
1
17.10 Ų
5.2 (PubChem computed XLogP3-AA descriptor)
CAS
593-08-8
PubChem CID
11622

Interactions

Polarity
Polar functional group with nonpolar contribution from the carbon skeleton.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Ketone

Physical properties

PropertyValueConditionsSource
Logp5.2PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 2-Tridecankje
  • 2-Tridecanone (natural)
  • 209-784-0
  • 593-08-8
  • 5Q35VHX26K
  • CHEBI:77928
  • DTXCID302070
  • DTXSID4022070
Show all 22 synonyms
  • EINECS 209-784-0
  • FEMA No. 3388
  • Hendecyl methyl ketone
  • MFCD00008968
  • Mathyl undecyl kepoje
  • Methyl n-undecyl ketone
  • Methyl undecyl ketone
  • NSC 14763
  • NSC-14763
  • RefChem:89498
  • TRIDECANONE
  • Tridecan-2-one
  • Tridecanone-2
  • UNII-5Q35VHX26K

Structure identifiers

Canonical SMILES
CCCCCCCCCCCC(=O)C
Isomeric SMILES
CCCCCCCCCCCC(=O)C
InChI
InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
InChIKey
CYIFVRUOHKNECG-UHFFFAOYSA-N
PubChem CID
11622

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

1715 cm−1C=O ketone (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for 2-TRIDECANONE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-TRIDECANONE; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record