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Molecule record

2-Dodecanone

C12H24O

184.32 g/mol

2D structure for 2-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
6175-49-1
PubChem CID
22556

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

  • 2-Dodecanone, 95%
  • 6175-49-1
  • AI3-28136
  • DTXCID902236
  • DTXSID4022236
  • Decyl methyl ketone
  • Dodecan-2-one
  • Dodecan2one
Show all 22 synonyms
  • Dodecanone-(2)
  • EINECS 228-222-5
  • LSKONYYRONEBKA-UHFFFAOYSA-N
  • METHYL DECYL KETONE
  • MFCD00015064
  • P5CN8YSV3P
  • RefChem:86792
  • SCHEMBL103221
  • SCHEMBL2167944
  • SCHEMBL7435731
  • SCHEMBL9263561
  • UNII-P5CN8YSV3P
  • n-DECYL METHYL KETONE
  • orb3132286

Structure identifiers

Canonical SMILES
CCCCCCCCCCC(=O)C
Isomeric SMILES
CCCCCCCCCCC(=O)C
InChI
InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3
InChIKey
LSKONYYRONEBKA-UHFFFAOYSA-N
PubChem CID
22556

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-Dodecanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-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