Molecular properties
- Formula
- C16H32O
- Molar mass
- 240.42 g·mol−1
- Exact mass
- 240.2453 Da
- 1
- 0
- 1
- 17.10 Ų
- 6.8 (PubChem computed XLogP3-AA descriptor)
- CAS
- 18787-63-8
- PubChem CID
- 29251
Molecule record
2-HEXADECANONE
C16H32O
240.42 g/mol
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
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 6.8 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 18787-63-8
- 2-Hexadecanone, 98%
- 242-571-0
- 4-01-00-03393 (Beilstein Handbook Reference)
- AI3-33815
- BRN 1769889
- CHEBI:179359
- CHEMBL3273568
Show all 22 synonyms
- DTXCID8094592
- DTXSID10172101
- EINECS 242-571-0
- Hexadecan-2-one
- LW5WI8V19D
- MFCD00042873
- Methyl tetradecyl ketone
- RefChem:145945
- SCHEMBL17022758
- SCHEMBL308802
- SCHEMBL536829
- SCHEMBL8859823
- UNII-LW5WI8V19D
- XCXKZBWAKKPFCJ-UHFFFAOYSA-N
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCCCC(=O)C
- Isomeric SMILES
- CCCCCCCCCCCCCCC(=O)C
- InChI
- InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3
- InChIKey
- XCXKZBWAKKPFCJ-UHFFFAOYSA-N
- PubChem CID
- 29251
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1715 cm−1C=O ketone (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for 2-HEXADECANONE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-HEXADECANONE; 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.