Molecular properties
- Formula
- C15H30O
- Molar mass
- 226.40 g·mol−1
- Exact mass
- 226.2297 Da
- 1
- 0
- 1
- 17.10 Ų
- 6.2 (PubChem computed XLogP3-AA descriptor)
- CAS
- 18787-66-1
- PubChem CID
- 545972
Molecule record
3-Pentadecanone
C15H30O
226.40 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 | 6.2 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 18787-66-1
- 3-pentadeca-none
- AKOS012716975
- DB-044654
- DTXCID60289117
- DTXSID80338030
- Dodecylethyl ketone
- Q63396142
Show all 13 synonyms
- RefChem:95264
- SCHEMBL4361047
- SCHEMBL4452914
- YELXTWKVTZTDCM-UHFFFAOYSA-N
- pentadecan-3-one
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCC(=O)CC
- Isomeric SMILES
- CCCCCCCCCCCCC(=O)CC
- InChI
- InChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3-14H2,1-2H3
- InChIKey
- YELXTWKVTZTDCM-UHFFFAOYSA-N
- PubChem CID
- 545972
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-Pentadecanone; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-Pentadecanone; 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.