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Molecule record

3-TRIDECANONE

C13H26O

198.34 g/mol

2D structure for 3-TRIDECANONE

Molecular properties

Formula
C13H26O
Molar mass
198.34 g·mol−1
Exact mass
198.1984 Da
1
0
1
17.10 Ų
5.1 (PubChem computed XLogP3-AA descriptor)
CAS
1534-26-5
PubChem CID
73751

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
Logp5.1PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1534-26-5
  • AI3-38182
  • BDBM50358400
  • CHEMBL1922862
  • DTXCID0087810
  • DTXSID90165319
  • EINECS 216-253-7
  • Ethyl n-decyl ketone
Show all 22 synonyms
  • Ethyl ndecyl ketone
  • LMFA12000172
  • NSC 158431
  • NSC-158431
  • NSC158431
  • NY4J47D8VZ
  • RefChem:95490
  • SCHEMBL27721086
  • SCHEMBL632531
  • Tridecan-3-one
  • Tridecan3one
  • UNII-NY4J47D8VZ
  • ZDIXOWNDGFVYNK-UHFFFAOYSA-N
  • nDecyl ethyl ketone

Structure identifiers

Canonical SMILES
CCCCCCCCCCC(=O)CC
Isomeric SMILES
CCCCCCCCCCC(=O)CC
InChI
InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h3-12H2,1-2H3
InChIKey
ZDIXOWNDGFVYNK-UHFFFAOYSA-N
PubChem CID
73751

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 3-TRIDECANONE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-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