Molecular properties
- Formula
- C17H34O
- Molar mass
- 254.50 g·mol−1
- Exact mass
- 254.2610 Da
- 1
- 0
- 1
- 17.10 Ų
- 7.6 (PubChem computed XLogP3-AA descriptor)
- CAS
- 629-90-3
- PubChem CID
- 71552
Molecule record
Heptadecanal
C17H34O
254.50 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
Aldehyde
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 7.6 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Heptadecanal
- 211-115-2
- 629-90-3
- 74T693129Y
- AI3-24250
- CHEBI:138631
- DTXCID00134571
- DTXSID00212080
Show all 22 synonyms
- EINECS 211-115-2
- Heptadecanal; 1-Heptadecanal; Margaric Aldehyde
- Heptadecanaldehyde
- Heptadecyl Aldehyde
- Hexadecyl Aldehyde
- MARGARIC ALDEHYDE
- MFCD04034658
- PIYDVAYKYBWPPY-UHFFFAOYSA-N
- RefChem:145617
- SCHEMBL119786
- UNII-74T693129Y
- heptadecan-1-al
- margaraldehyde
- n-heptadecanal
Structure identifiers
- Canonical SMILES
- CCCCCCCCCCCCCCCCC=O
- Isomeric SMILES
- CCCCCCCCCCCCCCCCC=O
- InChI
- InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3
- InChIKey
- PIYDVAYKYBWPPY-UHFFFAOYSA-N
- PubChem CID
- 71552
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
1725 cm−1C=O aldehyde (simulated)
2720 cm−1aldehyde C-H (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for Heptadecanal; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Heptadecanal; 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.