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Molecule record

4-DECANONE

C10H20O

156.26 g/mol

2D structure for 4-DECANONE

Molecular properties

Formula
C10H20O
Molar mass
156.26 g·mol−1
Exact mass
156.1514 Da
1
0
1
17.10 Ų
3.2 (PubChem computed XLogP3-AA descriptor)
CAS
624-16-8
PubChem CID
12203

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
Logp3.2PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 210-832-8
  • 502V1W8KD4
  • 624-16-8
  • DTXCID40133942
  • DTXSID40211451
  • EINECS 210-832-8
  • Hexyl propyl ketone
  • InChI=1/C10H20O/c1-3-5-6-7-9-10(11)8-4-2/h3-9H2,1-2H3
Show all 22 synonyms
  • MFCD00009542
  • MKJDUHZPLQYUCB-UHFFFAOYSA-
  • MKJDUHZPLQYUCB-UHFFFAOYSA-N
  • Propyl hexyl ketone
  • RefChem:98687
  • SCHEMBL126957
  • SCHEMBL127588
  • SCHEMBL52401
  • SCHEMBL6467411
  • SCHEMBL6467413
  • SCHEMBL7426321
  • UNII-502V1W8KD4
  • decan-4-one
  • n-Propyl n-hexyl ketone

Structure identifiers

Canonical SMILES
CCCCCCC(=O)CCC
Isomeric SMILES
CCCCCCC(=O)CCC
InChI
InChI=1S/C10H20O/c1-3-5-6-7-9-10(11)8-4-2/h3-9H2,1-2H3
InChIKey
MKJDUHZPLQYUCB-UHFFFAOYSA-N
PubChem CID
12203

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-DECANONE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-DECANONE; 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