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MoleculesSolids
  • 3D structure: Jmol
  • Molecular Properties
  • Images

Related Molecules

  • C7H16
    2-methylhexane
  • C6H14
    2-methylpentane
  • C4H10
    2-methylpropane
  • C6H14
    2,3-dimethylbutane
  • C8H18
    2,3,4-trimethylpentane
  • C8H18
    3-ethylhexane
  • C7H16
    3-ethylpentane
  • C6H14
    3-methylpentane
  • C10H22
    3R-3-ethyl-2,5-dimethylhexane
  • C8H18
    3R,4S-3,4-dimethylhexane
  • C7H16
    3S-2,3-dimethylpentane
  • C8H18
    3S-3-methylheptane
  • C8H18
    4S-2,4-dimethylhexane
  • C4H10
    Butane
  • C10H20
    Cyclodecane
  • C7H14
    Cycloheptane
  • C6H12
    Cyclohexane
  • C9H18
    Cyclononane
  • C8H16
    Cyclooctane
  • C5H10
    Cyclopentane
  • C10H22
    Decane
  • C12H26
    Dodecane
  • C20H42
    Eicosane
  • CH3CH3
    Ethane
  • C7H16
    Heptane
  • C16H34
    Hexadecane
  • C6H14
    Hexane
  • CH4
    Methane
  • C7H14
    Methylcyclohexane
  • C6H12
    Methylcyclopentane
  • C9H20
    Nonane
  • C8H18
    Octane
  • C15H32
    Pentadecane
  • C5H12
    Pentane
  • C3H8
    Propane
  • C24H50
    Tetracosane
  • C14H30
    Tetradecane
  • C13H28
    Tridecane
  • C11H24
    Undecane
  • C3H7Br
    1-bromopropane
  • C2ClF5
    1-chloro-1,1,2,2,2-pentafluoroethane
  • C4H9Cl
    1-chlorobutane
  • C10H21Cl
    1-chlorodecane
  • C7H15Cl
    1-chloroheptane
  • C6H13Cl
    1-chlorohexane
  • C9H19Cl
    1-chlorononane
  • C8H17Cl
    1-chlorooctane
  • C5H11Cl
    1-chloropentane
  • C3H7Cl
    1-chloropropane
  • C2H3Cl3
    1,1,1-trichloroethane
  • C2HF5
    1,1,1,2,2-pentafluoroethane
  • C2F6
    1,1,1,2,2,2-hexafluoroethane
  • C2H2Cl4
    1,1,2,2-tetrachloroethane
  • C3H6Cl2
    1,3-dichloropropane
  • C4H9Br
    2-bromo-2-methylpropane
  • C3H7Br
    2-bromopropane
  • C4H9Cl
    2-chloro-2-methylpropane
  • C3H7Cl
    2-chloropropane
  • C4H9Br
    2S-2-bromobutane
  • C4H9Cl
    2S-2-chlorobutane
  • C6H11Br
    Bromocyclohexane
  • C2H5Br
    Bromoethane
  • CHBr3
    Bromoform
  • CH3Br
    Bromomethane
  • CBrF3
    Bromotrifluoromethane
  • C6H11Cl
    Chlorocyclohexane
  • C2H5Cl
    Chloroethane
  • CHCl3
    Chloroform
  • CH3Cl
    Chloromethane
  • CH2Cl2
    Dichloromethane
  • CH2F2
    Difluoromethane
  • C7H14
    1R,2S-1,2-dimethylcyclopentane
  • C7H14
    1R,3S-1,3-dimethylcyclopentane
  • C8H16
    1S,2S-1-ethyl-2-methylcyclopentane
  • C5H12
    2-methylbutane
  • C8H18
    2-methylheptane
  • C17H28
    Hexadecahydro-1H-cyclopenta[a]phenanthrene
  • C10H18
    Cis-decahydronaphthalene
  • C8H8
    Cubane
  • C7H12
    Norbornane
Cyclohexane C6H12
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Display







Molecular Electrostatic Potential (MEP)

Molecular Vibrations

IR spectrum

Click on an IR absorption to see the vibration in the molecular structure.

Symmetry Elements for Point Group D2

Molecular Orbitals

Smiles: C1CCCCC1
Mol. Weight: 84.16
IUPAC name: cyclohexane
Charge: 0
InChi: 1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
Link to:Pubchem CID:8078

Additional Information

The molecular structure has been optimized at the B3LYP/6-31g* level of theory. Charges used for electrostatic maps are computed using the NBO method. The molecular vibrations are the eigenvectors of the Hessian of the potential.

The symmetry group was detected using Serguei Patchkovskii's code (http://www.cobalt.chem.ucalgary.ca/ps/symmetry/)

Most of the Jmol drawing capabilities (Symmetry, Electrostatic Maps, Vibrations and others) are developed by Bob Hanson and the Jmol community of developers.