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Molecule record

DODECANAL

C12H24O

184.32 g/mol

2D structure for DODECANAL

Molecular properties

Formula
C12H24O
Molar mass
184.32 g·mol−1
Exact mass
184.1827 Da
1
0
1
17.10 Ų
4.9 (PubChem computed XLogP3-AA descriptor)
CAS
112-54-9
PubChem CID
8194

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

Aldehyde

Physical properties

PropertyValueConditionsSource
Logp4.9PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 112-54-9
  • 203-983-6
  • C12 aldehyde
  • C42O120SEF
  • CHEBI:27836
  • CHEMBL2228373
  • DTXSID6021589
  • Dodecanaldehyde
Show all 22 synonyms
  • Dodecyl aldehyde
  • Duodecylic aldehyde
  • FEMA No. 2615
  • Lauraldehyde
  • Lauric aldehyde
  • Lauryl aldehyde
  • Laurylaldehyde
  • NSC-46128
  • NSC-52196
  • RefChem:1113275
  • n-Dodecanal
  • n-Dodecyl aldehyde
  • n-Dodecylic aldehyde
  • n-Lauraldehyde

Structure identifiers

Canonical SMILES
CCCCCCCCCCCC=O
Isomeric SMILES
CCCCCCCCCCCC=O
InChI
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
InChIKey
HFJRKMMYBMWEAD-UHFFFAOYSA-N
PubChem CID
8194

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

1725 cm−1C=O aldehyde (simulated)
2720 cm−1aldehyde C-H (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for DODECANAL; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for DODECANAL; 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