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Molecule record

3-Tetradecanone

C14H28O

212.37 g/mol

2D structure for 3-Tetradecanone

Molecular properties

Formula
C14H28O
Molar mass
212.37 g·mol−1
Exact mass
212.2140 Da
1
0
1
17.10 Ų
5.6 (PubChem computed XLogP3-AA descriptor)
CAS
629-23-2
PubChem CID
69418

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
Logp5.6PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 3Tetradecanone
  • 629-23-2
  • 8A6HE775UW
  • AI3-04251
  • AKOS009159188
  • DTXCID30134564
  • DTXSID30212073
  • EINECS 211-081-9
Show all 22 synonyms
  • Ethyl Undecyl Ketone
  • LMFA12000178
  • MFCD00026563
  • NSC 158516
  • NSC-158516
  • NSC158516
  • OCHYRSKMMMYUMI-UHFFFAOYSA-N
  • RefChem:95456
  • SCHEMBL15809443
  • SCHEMBL2126644
  • SCHEMBL810371
  • SCHEMBL9189691
  • Tetradecan-3-one
  • UNII-8A6HE775UW

Structure identifiers

Canonical SMILES
CCCCCCCCCCCC(=O)CC
Isomeric SMILES
CCCCCCCCCCCC(=O)CC
InChI
InChI=1S/C14H28O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3-13H2,1-2H3
InChIKey
OCHYRSKMMMYUMI-UHFFFAOYSA-N
PubChem CID
69418

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-Tetradecanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-Tetradecanone; 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