Molecular properties
- Formula
- C20H40O
- Molar mass
- 296.50 g·mol−1
- Exact mass
- 296.3079 Da
- 1
- 0
- 1
- 17.10 Ų
- 8.9 (PubChem computed XLogP3-AA descriptor)
- CAS
- 2955-56-8
- PubChem CID
- 18067
Molecule record
3-EICOSANONE
C20H40O
296.50 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 | 8.9 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 2955-56-8
- 3-Icosanone
- 3-Icosanone #
- AKOS024334046
- BWVLRRQCABCGBO-UHFFFAOYSA-N
- DB-241033
- DTXCID50106223
- DTXSID10183732
Show all 20 synonyms
- EICOSAN-3-ONE
- Ethyl Heptadecyl Ketone; NSC 406005
- MFCD00026673
- NSC 406005
- NSC-406005
- NSC406005
- RefChem:93739
- SCHEMBL17078442
- SCHEMBL17078443
- SCHEMBL3122593
- eicosanone-3
- icosan-3-one
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCCCCCCC(=O)CC
- Isomeric SMILES
- CCCCCCCCCCCCCCCCCC(=O)CC
- InChI
- InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)4-2/h3-19H2,1-2H3
- InChIKey
- BWVLRRQCABCGBO-UHFFFAOYSA-N
- PubChem CID
- 18067
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-EICOSANONE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-EICOSANONE; 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.