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Molecule record

4-Dodecanone

C12H24O

184.32 g/mol

2D structure for 4-Dodecanone

Molecular properties

Formula
C12H24O
Molar mass
184.32 g·mol−1
Exact mass
184.1827 Da
1
0
1
17.10 Ų
4.6 (PubChem computed XLogP3-AA descriptor)
CAS
6137-26-4
PubChem CID
80226

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
Logp4.6PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 6137-26-4
  • AKOS009157791
  • CS-0454161
  • DC43HC978D
  • DTXSID40210287
  • Dodecan-4-one
  • Dodecan4one
  • EINECS 228-116-9
Show all 21 synonyms
  • MFCD00015300
  • NS00045509
  • NSC 158519
  • NSC-158519
  • NSC158519
  • Octyl propyl ketone
  • Propyl octyl ketone
  • RefChem:522540
  • SCHEMBL7842197
  • SCHEMBL9113563
  • SCHEMBL9114018
  • SCHEMBL918091
  • nOctyl npropyl ketone

Structure identifiers

Canonical SMILES
CCCCCCCCC(=O)CCC
Isomeric SMILES
CCCCCCCCC(=O)CCC
InChI
InChI=1S/C12H24O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h3-11H2,1-2H3
InChIKey
AVQSOIZWTINZLU-UHFFFAOYSA-N
PubChem CID
80226

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 4-Dodecanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-Dodecanone; 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