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Molecule record

1-Pentadecyne

C15H28

208.38 g/mol

2D structure for 1-Pentadecyne

Molecular properties

Formula
C15H28
Molar mass
208.38 g·mol−1
Exact mass
208.2191 Da
2
0
0
0.00 Ų
7.3 (PubChem computed XLogP3-AA descriptor)
CAS
765-13-9
PubChem CID
69825

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

Alkyne

Physical properties

PropertyValueConditionsSource
Logp7.3PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Penatdecyne
  • 1-Pentadecyne, 98%
  • 1-Pentadecyne, >=97.0%
  • 765-13-9
  • AKOS015836226
  • AS-77083
  • CS-0331115
  • DONJGKADZJEXRJ-UHFFFAOYSA-N
Show all 22 synonyms
  • DTXCID4047888
  • DTXSID9061097
  • EINECS 212-140-1
  • MFCD00015081
  • NS00037802
  • P0356
  • RefChem:76873
  • SBB009125
  • SCHEMBL130224
  • SCHEMBL131107
  • SCHEMBL2446575
  • SCHEMBL313905
  • Tridecylacetylene
  • pentadec-1-yne

Structure identifiers

Canonical SMILES
CCCCCCCCCCCCCC#C
Isomeric SMILES
CCCCCCCCCCCCCC#C
InChI
InChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1H,4-15H2,2H3
InChIKey
DONJGKADZJEXRJ-UHFFFAOYSA-N
PubChem CID
69825

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

2120 cm−1C≡C alkyne (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for 1-Pentadecyne; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-Pentadecyne; 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
1-Pentadecyne - Formula, Structure, Properties, IR and spectroscopy data | ChemArche