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Molecule record

CYCLOHEXANE

C6H12

84.16 g/mol

2D structure for CYCLOHEXANE

Molecular properties

Formula
C6H12
Molar mass
84.16 g·mol−1
Exact mass
84.0939 Da
1
0
0
0.00 Ų
3.4 (PubChem computed XLogP3-AA descriptor)
CAS
110-82-7
PubChem CID
8078

Interactions

Polarity
Often weakly polar or nonpolar unless other structural features dominate.
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

Aromatic ring

Physical properties

PropertyValueConditionsSource
Logp3.4PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 110-82-7
  • 48K5MKG32S
  • AI3-08222
  • Benzene hexahydride
  • Benzene, hexahydro-
  • Benzenehexahydride
  • CCRIS 3928
  • CHEBI:29005
Show all 22 synonyms
  • Caswell No. 269
  • Cicloesano
  • Cyclohexaan
  • Cyclohexan
  • Cykloheksan
  • DTXCID701923
  • DTXSID4021923
  • EPA Pesticide Chemical Code 025901
  • Hexahydrobenzene
  • Hexamethylene
  • Hexanaphthene
  • NSC-406835
  • RCRA waste number U056
  • RefChem:6634

Structure identifiers

Canonical SMILES
C1CCCCC1
Isomeric SMILES
C1CCCCC1
InChI
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
InChIKey
XDTMQSROBMDMFD-UHFFFAOYSA-N
PubChem CID
8078

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

3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for CYCLOHEXANE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for CYCLOHEXANE; not experimental data.

Related molecules

2D structure for CYCLOHEXANONE

CYCLOHEXANONE

C6H10O98.14 g·mol−1

2D structure for HEXANE

HEXANE

C6H1486.18 g·mol−1

2D structure for benzene

benzene

C6H678.11 g·mol−1

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