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Molecule record

pentan-3-ol

C5H12O

88.15 g/mol

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Molecular properties

Formula
C5H12O
Molar mass
88.15 g·mol−1
Exact mass
88.0888 Da
0
PubChem CID
11428

Functional groups

Alcohol
Alkane / alkyl carbon

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (C2H5)2CHOH
  • 1-Ethyl-1-propanol
  • 3-PENTANOL
  • 3-PENTANOL [MI]
  • 3-Pentanol, 98%
  • 3-Pentyl alcohol
  • 3-Pentyl--d5 Alcohol
  • 4-01-00-01662 (Beilstein Handbook Reference)
Show all 24 synonyms
  • 584-02-1
  • AI3-24335
  • BRN 1730964
  • CHEMBL47100
  • Diethyl carbinol
  • Diethylcarbinol
  • EINECS 209-526-7
  • MFCD00004574
  • NSC 8654
  • Pentanol-3
  • SCHEMBL22505
  • SCHEMBL248124
  • SCHEMBL31194
  • SCHEMBL5341
  • UNII-X4ELC182I5
  • X4ELC182I5

Structure identifiers

Canonical SMILES
CCC(O)CC
Isomeric SMILES
CCC(CC)O
InChI
InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
InChIKey
AQIXEPGDORPWBJ-UHFFFAOYSA-N
PubChem CID
11428

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for pentan-3-ol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for pentan-3-ol; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record
pentan-3-ol - Formula, Structure | ChemArche