Molecular properties
- Formula
- C5H10O
- Molar mass
- 86.13 g·mol−1
- Exact mass
- 86.0732 Da
- 1
- 0
- 1
- 17.10 Ų
- 1.1 (PubChem computed XLogP3-AA descriptor)
- CAS
- 110-62-3
- PubChem CID
- 8063
Molecule record
PENTANAL
C5H10O
86.13 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 | 1.1 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 110-62-3
- Amyl aldehyde
- Amylaldehyde
- B975S3014W
- Butyl formal
- CHEBI:84069
- DTXCID001653
- DTXSID7021653
Show all 22 synonyms
- FEMA No. 3098
- FEMA Number 3098
- NSC-35404
- RefChem:52381
- Valeral
- Valeraldehyde
- Valerianic aldehyde
- Valeric acid aldehyde
- Valeric aldehyde
- Valeryl aldehyde
- Valerylaldehyde
- n-Pentanal
- n-Valeraldehyde
- n-Valeric aldehyde
Structure identifiers
- Canonical SMILES
- CCCCC=O
- Isomeric SMILES
- CCCCC=O
- InChI
- InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
- InChIKey
- HGBOYTHUEUWSSQ-UHFFFAOYSA-N
- PubChem CID
- 8063
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 PENTANAL; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for PENTANAL; 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.