Molecular properties
- Formula
- C18H36O
- Molar mass
- 268.50 g·mol−1
- Exact mass
- 268.2766 Da
- 1
- 0
- 1
- 17.10 Ų
- 7.8 (PubChem computed XLogP3-AA descriptor)
- CAS
- 18261-92-2
- PubChem CID
- 87532
Molecule record
3-Octadecanone
C18H36O
268.50 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 | 7.8 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 18261-92-2
- 242-132-3
- 6E54YCX3QT
- AKOS024333781
- Aethylpentadecylketon
- CS-0449193
- DTXCID9093802
- DTXSID10171311
Show all 22 synonyms
- EINECS 242-132-3
- ETHYL PENTADECYL KETONE
- FO68105
- LMCGARAPKXJPNG-UHFFFAOYSA-N
- NS00051836
- NSC 229418
- NSC-229418
- NSC229418
- Octadecan-3-one
- Q63409471
- RefChem:95186
- SCHEMBL2782616
- SCHEMBL9459406
- SCHEMBL9459408
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCCCCC(=O)CC
- Isomeric SMILES
- CCCCCCCCCCCCCCCC(=O)CC
- InChI
- InChI=1S/C18H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)4-2/h3-17H2,1-2H3
- InChIKey
- LMCGARAPKXJPNG-UHFFFAOYSA-N
- PubChem CID
- 87532
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-Octadecanone; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-Octadecanone; 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.