Molecular properties
- Formula
- C7H14
- Molar mass
- 98.19 g·mol−1
- Exact mass
- 98.1096 Da
- 1
- 0
- 0
- 0.00 Ų
- 3.6 (PubChem computed XLogP3-AA descriptor)
- CAS
- 108-87-2
- PubChem CID
- 7962
Molecule record
METHYLCYCLOHEXANE
C7H14
98.19 g/mol
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
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 3.6 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 108-87-2
- 203-624-3
- CHEBI:165745
- Cyclohexane, methyl-
- Cyclohexylmethane
- DTXCID4027733
- DTXSID0047749
- H5WXT3SV31
Show all 22 synonyms
- Hexahydrotoluene
- Hexahydroxytoluene
- MFCD00001497
- Metylocykloheksan
- Metylocykloheksan [Polish]
- NSC 9391
- NSC-9391
- RefChem:6030
- Sextone B
- TOLUENE, HEXAHYDRO
- Toluene hexahydride
- Toluene, hexahydro-
- methyl cyclohexane
- methyl-cyclohexane
Structure identifiers
- Canonical SMILES
- CC1CCCCC1
- Isomeric SMILES
- CC1CCCCC1
- InChI
- InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
- InChIKey
- UAEPNZWRGJTJPN-UHFFFAOYSA-N
- PubChem CID
- 7962
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
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 METHYLCYCLOHEXANE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for METHYLCYCLOHEXANE; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.