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Molecule record

heptan-4-ol

C7H16O

116.20 g/mol

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Molecular properties

Formula
C7H16O
Molar mass
116.20 g·mol−1
Exact mass
116.1201 Da
0
PubChem CID
11513

Functional groups

Alcohol
Alkane / alkyl carbon

Physical properties

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

Common names and synonyms

  • 4-HEPTANOL
  • 4-Heptyl Alcohol
  • 589-55-9
  • CH3(CH2)2CHOH(CH2)2CH3
  • DTXSID1060429
  • Dipropylcarbinol
  • EINECS 209-651-7
  • Heptanol-4
Show all 24 synonyms
  • MFCD00021934
  • NSC-8695
  • NSC8695
  • SCHEMBL1022912
  • SCHEMBL203835
  • SCHEMBL2045200
  • SCHEMBL22249
  • SCHEMBL28116791
  • SCHEMBL3622761
  • SCHEMBL580950
  • UNII-YG7B8091BP
  • YG7B8091BP
  • YVBCULSIZWMTFY-UHFFFAOYSA-
  • di-n-Propylcarbinol
  • n-Heptan-4-ol
  • orb3021417

Structure identifiers

Canonical SMILES
CCCC(O)CCC
Isomeric SMILES
CCCC(CCC)O
InChI
InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3
InChIKey
YVBCULSIZWMTFY-UHFFFAOYSA-N
PubChem CID
11513

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 heptan-4-ol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for heptan-4-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