Molecular properties
- Formula
- C7H14O
- Molar mass
- 114.19 g·mol−1
- Exact mass
- 114.1045 Da
- 1
- 0
- 1
- 17.10 Ų
- 2.3 (PubChem computed XLogP3-AA descriptor)
- CAS
- 111-71-7
- PubChem CID
- 8130
Molecule record
Heptanal
C7H14O
114.19 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 | 2.3 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Heptaldehyde
- 111-71-7
- Aldehyde C-7
- Aldehyde C7
- DTXSID0021597
- Enanthal
- Enanthaldehyde
- Enanthic aldehyde
Show all 22 synonyms
- Enanthole
- FEMA No. 2540
- Heptaldehyde
- Heptanaldehyde
- Heptyl aldehyde
- Heptylaldehyde
- N-HEPTANAL
- Oenanthal
- Oenanthaldehyde
- Oenanthic aldehyde
- Oenanthol
- n-C6H13CHO
- n-Heptaldehyde
- n-Heptylaldehyde
Structure identifiers
- Canonical SMILES
- CCCCCCC=O
- Isomeric SMILES
- CCCCCCC=O
- InChI
- InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
- InChIKey
- FXHGMKSSBGDXIY-UHFFFAOYSA-N
- PubChem CID
- 8130
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 Heptanal; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for Heptanal; 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.