ChemArche
Sign inAccount

Molecule record

2-HEPTANOL

C7H16O

116.20 g/mol

2D structure for 2-HEPTANOL

Molecular properties

Formula
C7H16O
Molar mass
116.20 g·mol−1
Exact mass
116.1201 Da
0
1
1
20.20 Ų
2.3 (PubChem computed XLogP3-AA descriptor)
CAS
543-49-7
PubChem CID
10976

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
Logp2.3PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 1-Methylhexanol
  • 2-HEPTANOL [FHFI]
  • 2-HEPTANOL [MI]
  • 2-Heptanol (natural)
  • 2-Heptyl alcohol
  • 2-Hydroxyheptane
  • 543-49-7
  • AI3-11263
Show all 22 synonyms
  • Amyl methyl carbinol
  • BRN 1719088
  • DL-HEPTAN-2-OL
  • DTXSID1047158
  • E12FIG07JK
  • EINECS 208-844-3
  • FEMA No. 3288
  • Heptan-2-ol
  • Heptanol-2
  • Heptyl alcohol, sec-
  • Methyl amyl carbinol
  • NSC 2220
  • NSC-2220
  • s-Heptyl alcohol

Structure identifiers

Canonical SMILES
CCCCCC(C)O
Isomeric SMILES
CCCCCC(C)O
InChI
InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
InChIKey
CETWDUZRCINIHU-UHFFFAOYSA-N
PubChem CID
10976

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 2-HEPTANOL; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-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