Molecular properties
- Formula
- C6H14O
- Molar mass
- 102.17 g·mol−1
- Exact mass
- 102.1045 Da
- 0
- 1
- 1
- 20.20 Ų
- 2 (PubChem computed XLogP3-AA descriptor)
- CAS
- 111-27-3
- PubChem CID
- 8103
Molecule record
1-Hexanol
C6H14O
102.17 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- 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
Alcohol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 2 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 1-Hexyl alcohol
- 1-Hydroxyhexane
- 111-27-3
- 6CP2QER8GS
- Alcohol(C6)
- Amylcarbinol
- C6 alcohol
- CHEBI:87393
Show all 22 synonyms
- Caproic alcohol
- Caproyl alcohol
- DTXCID201931
- DTXSID8021931
- EPAL 6
- FEMA No. 2567
- FEMA Number 2567
- Hexan-1-ol
- Hexyl alcohol
- NSC-9254
- Pentylcarbinol
- n-Hexan-1-ol
- n-Hexanol
- n-Hexyl alcohol
Structure identifiers
- Canonical SMILES
- CCCCCCO
- Isomeric SMILES
- CCCCCCO
- InChI
- InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
- InChIKey
- ZSIAUFGUXNUGDI-UHFFFAOYSA-N
- PubChem CID
- 8103
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
3350 cm−1broad O-H (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for 1-Hexanol; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-Hexanol; 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.