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Molecule record

1-HEPTANOL

C7H16O

116.20 g/mol

2D structure for 1-HEPTANOL

Molecular properties

Formula
C7H16O
Molar mass
116.20 g·mol−1
Exact mass
116.1201 Da
0
1
1
20.20 Ų
2.7 (PubChem computed XLogP3-AA descriptor)
CAS
111-70-6
PubChem CID
8129

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

PropertyValueConditionsSource
Logp2.7PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-heptyl alcohol
  • AI3-15363
  • BRN 1731686
  • C7 alcohol
  • DTXSID8021937
  • EINECS 203-897-9
  • Enanthic alcohol
  • FEMA 2548
Show all 22 synonyms
  • FEMA Number 2548
  • HEPTYL ALCOHOL, N-
  • HSDB 1077
  • Heptan-1-ol
  • Heptanol
  • Heptyl alcohol
  • Heptyl alcohol (natural)
  • Heptyl alcohol, primary
  • Hexyl carbinol
  • Hydroxy heptane
  • Hydroxyheptane
  • Pri-n-heptyl alcohol
  • heptanol-1
  • n-Heptanol

Structure identifiers

Canonical SMILES
CCCCCCCO
Isomeric SMILES
CCCCCCCO
InChI
InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey
BBMCTIGTTCKYKF-UHFFFAOYSA-N
PubChem CID
8129

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

3350 cm−1broad O-H (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

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

Simulated EI mass spectrum

On-demand educational fragmentation for 1-HEPTANOL; 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