Molecule record

Decanal

C10H20O

156.26 g/mol

2D structure for Decanal

Molecular properties

Formula
C10H20O
Molar mass
156.26 g·mol−1
Exact mass
156.1514 Da
1
0
1
17.10 Ų
3.8 (PubChem computed XLogP3-AA descriptor)
CAS
112-31-2
PubChem CID
8175

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
Logp3.8PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Decanal
  • 1-Decyl aldehyde
  • 112-31-2
  • 31Z90Q7KQJ
  • Aldehyde C-10
  • Aldehyde C10
  • C-10 aldehyde
  • Capraldehyde
Show all 22 synonyms
  • Capric aldehyde
  • Caprinaldehyde
  • Caprinic aldehyde
  • DECALDEHYDE
  • DTXCID801553
  • DTXSID4021553
  • Decanaldehyde
  • Decyl aldehyde
  • Decylic aldehyde
  • FEMA No. 2362
  • NSC-6087
  • n-Decaldehyde
  • n-Decanal
  • n-Decyl aldehyde

Structure identifiers

Canonical SMILES
CCCCCCCCCC=O
Isomeric SMILES
CCCCCCCCCC=O
InChI
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
InChIKey
KSMVZQYAVGTKIV-UHFFFAOYSA-N
PubChem CID
8175

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

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 Decanal; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for Decanal; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

simulated IR

ChemForge original educational simulation.

Open source record