Molecular properties
- Formula
- C7H14
- Molar mass
- 98.19 g·mol−1
- Exact mass
- 98.1096 Da
- 1
- 0
- 0
- 0.00 Ų
- 4 (PubChem computed XLogP3-AA descriptor)
- CAS
- 25339-56-4
- PubChem CID
- 11610
Molecule record
1-HEPTENE
C7H14
98.19 g/mol
Interactions
- Polarity
- Often weakly polar or nonpolar unless other structural features dominate.
- 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
Alkene
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 4 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- .alpha.-Heptylene
- 1-C7H14
- 1-HEPTENE [HSDB]
- 1nHeptene
- 25339-56-4
- 25339-56-4(n-Heptene)592-76-7(1-Heptene)
- DTXSID2060466
- EINECS 209-767-8
Show all 22 synonyms
- EINECS 246-871-2
- HEPTENE
- HSDB 1078
- Hept-1-ene
- Heptenes
- NSC 74130
- NSC-74130
- O748KJ11V7
- UN2278
- UNII-O748KJ11V7
- alpha-heptylene
- n-Heptene
- nHept1ene
- nHeptene
Structure identifiers
- Canonical SMILES
- CCCCCC=C
- Isomeric SMILES
- CCCCCC=C
- InChI
- InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
- InChIKey
- ZGEGCLOFRBLKSE-UHFFFAOYSA-N
- PubChem CID
- 11610
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
1645 cm−1C=C alkene (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for 1-HEPTENE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-HEPTENE; 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.