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Molecule record

2-HEPTENE

C7H14

98.19 g/mol

2D structure for 2-HEPTENE

Molecular properties

Formula
C7H14
Molar mass
98.19 g·mol−1
Exact mass
98.1096 Da
1
0
0
0.00 Ų
3.2 (PubChem computed XLogP3-AA descriptor)
CAS
592-77-8
PubChem CID
11611

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

PropertyValueConditionsSource
Logp3.2PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 2-C7H14
  • 2-HEPTENE (CIS-AND TRANS-MIXTURE)
  • 2Heptene (cis and trans mixture)
  • 592-77-8
  • DTXCID1042574
  • DTXSID0074718
  • ECH654N3CO
  • EINECS 209-768-3
Show all 22 synonyms
  • Hept-2-ene
  • Hept2ene
  • Heptene2
  • Heptene2 (cis, trans)
  • OTTZHAVKAVGASB-UHFFFAOYSA-N
  • RefChem:87252
  • SCHEMBL102125
  • SCHEMBL21160
  • SCHEMBL50914
  • SCHEMBL83102
  • SCHEMBL84126
  • UNII-ECH654N3CO
  • heptene-2
  • n2Heptene

Structure identifiers

Canonical SMILES
CCCCC=CC
Isomeric SMILES
CCCCC=CC
InChI
InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3
InChIKey
OTTZHAVKAVGASB-UHFFFAOYSA-N
PubChem CID
11611

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

1645 cm−1C=C alkene (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for 2-HEPTENE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-HEPTENE; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record
2-HEPTENE - Formula, Structure, Properties, IR and spectroscopy data | ChemArche