Molecular properties
- Formula
- C16H32O
- Molar mass
- 240.42 g·mol−1
- Exact mass
- 240.2453 Da
- 1
- 0
- 1
- 17.10 Ų
- 6.7 (PubChem computed XLogP3-AA descriptor)
- CAS
- 18787-64-9
- PubChem CID
- 87789
Molecule record
3-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 | 6.7 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 18787-64-9
- 242-572-6
- 3-Hexadecanone, >=99%
- CHEBI:179365
- CHEMBL3273569
- Cetan-3-one
- DTXCID7035933
- DTXSID4066412
Show all 22 synonyms
- EINECS 242-572-6
- Ethyl n-tridecyl ketone
- Ethyl tridecyl ketone
- LTMXHUUHBSCKEK-UHFFFAOYSA-N
- MFCD00048458
- NSC 158511
- NSC-158511
- NSC158511
- RefChem:94023
- SCHEMBL1898398
- SCHEMBL1898399
- SCHEMBL966153
- U58JRT3EVM
- hexadecan-3-one
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCCC(=O)CC
- Isomeric SMILES
- CCCCCCCCCCCCCC(=O)CC
- InChI
- InChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h3-15H2,1-2H3
- InChIKey
- LTMXHUUHBSCKEK-UHFFFAOYSA-N
- PubChem CID
- 87789
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 3-Hexadecanone; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-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.