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Molecule record

2-PENTANOL

C5H12O

88.15 g/mol

2D structure for 2-PENTANOL

Molecular properties

Formula
C5H12O
Molar mass
88.15 g·mol−1
Exact mass
88.0888 Da
0
1
1
20.20 Ų
1.2 (PubChem computed XLogP3-AA descriptor)
CAS
6032-29-7
PubChem CID
22386

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
Logp1.2PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 04G7050365
  • 1-Methyl-1-butanol
  • 1-Methylbutanol
  • 2-Hydroxypentane
  • 2-Pentyl alcohol
  • 227-907-6
  • 6032-29-7
  • CHEBI:77518
Show all 22 synonyms
  • DL-2-Pentanol
  • DTXCID1031333
  • DTXSID3052721
  • FEMA No. 3316
  • Isoamyl alcohol, secondary
  • Methyl propyl carbinol
  • Methylpropylcarbinol
  • Pentan-2-ol
  • Pentanol-2
  • RefChem:1064071
  • alpha-Methylbutanol
  • sec-Amyl alcohol
  • sec-Pentyl alcohol
  • sec-n-Amyl alcohol

Structure identifiers

Canonical SMILES
CCCC(C)O
Isomeric SMILES
CCCC(C)O
InChI
InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
InChIKey
JYVLIDXNZAXMDK-UHFFFAOYSA-N
PubChem CID
22386

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-PENTANOL; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-PENTANOL; 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