Structure & Deep Data of CYCLOHEXANE (C6H12)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The CYCLOHEXANE molecule contains a total of 18 bond(s). There are 6 non-H bond(s) and 1 six-membered ring(s). Images of the chemical structure of CYCLOHEXANE are given below:

The 2D chemical structure image of CYCLOHEXANE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of CYCLOHEXANE are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of CYCLOHEXANE is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of CYCLOHEXANE. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying CYCLOHEXANE Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of CYCLOHEXANE

  The SMILES string of CYCLOHEXANE is C1CCCCC1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the CYCLOHEXANE.

• Structure Data File (SDF/MOL File) of CYCLOHEXANE

  The structure data file (SDF/MOL File) of CYCLOHEXANE is available for download in the SDF page of CYCLOHEXANE, which provides the information about the atoms, bonds, connectivity and coordinates of CYCLOHEXANE. The CYCLOHEXANE structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of CYCLOHEXANE

  The molecular formula of CYCLOHEXANE is available in chemical formula page of CYCLOHEXANE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of CYCLOHEXANE

  The molecular weight of CYCLOHEXANE is available in molecular weight page of CYCLOHEXANE, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of CYCLOHEXANE

  The CYCLOHEXANE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of CYCLOHEXANE including the various registry numbers, if available:

  • Cyclohexane, pharmaceutical secondary standard; traceable to USP
  • Cyclohexane, HPLC UV/IR isocratic grade, min. 99.9%
  • I14-17856
  • Cyclohexane,oxidized,non-acidicby-products,distn.lights
  • Cyclohexane, ACS spectrophotometric grade, >=99%
  • 300044X
  • Cyclohexane, UV HPLC spectroscopic, 99.5%
  • Cyclohexane [UN1145] [Flammable liquid]
  • Cyclohexane, p.a., ACS reagent, 99.0%
  • Cyclohexane, Laboratory Reagent, >=99.8%

  • Cyclohexane, SAJ first grade, >=99.0%
  • Cyclohexane [UN1145] [Flammable liquid]
  • Cyclohexane, puriss., >=99.5% (GC)
  • CAS-110-82-7
  • 68609-05-2
  • 68512-15-2
  • 68411-76-7
  • 25012-93-5
  • UN 1145
  • CYCLOHEXANE, HPLC/SPECTRO GRADE

  • Cyclohexane, HPLC grade, >=99.9%
  • Cyclohexane, for HPLC, >=99.9%
  • Cyclohexane, >=99.5%, PRA grade
  • Cyclohexane GC, for residue analysis
  • ANW-56408
  • LTBB002303
  • Cyclohexane, reaction product with oxygen, nonvolatile residue
  • Cyclohexane, AR, >=99.5%
  • Cyclohexane, anhydrous, 99.5%
  • Cyclohexane, Environmental Grade

  • Cyclohexane, p.a., 99.0%
  • Cyclohexane, analytical standard
  • Cyclohexane, JIS special grade
  • 48K5MKG32S
  • Cyclohexane, LR, >=99%
  • Cyclohexane, 99% 1L
  • bmse000545
  • CYCLOHEXANE- D12
  • Cyclohexane, homopolymer
  • Cyclohexane, for HPLC

  • Cyclohexane HPLC grade
  • Cyclohexane,oxidized
  • cyclo-hexane
  • Zyklohexan
  • Cyclohexane, puriss. p.a., ACS reagent, >=99.5% (GC)
  • Cyclohexane, for HPLC, >=99.7%
  • Cyclohexane, ACS reagent, >=99%
  • Ciclohexano
  • Cyclohexane, HPLC Grade
  • MFCD00003814

  • Cyclohexane, oxidized, non-volatile residue
  • EPA Pesticide Chemical Code 025901
  • RCRA waste no. U056
  • hexahydro-Benzene
  • Caswell No. 269
  • Cykloheksan [Polish]
  • Cicloesano [Italian]
  • Cyclohexan [German]
  • Cyclohexaan [Dutch]
  • RCRA waste number U056

  • Poly(cyclohexane)
  • Benzenehexahydride
  • Polycyclohexane
  • Benzene, hexahydro-
  • Cyclohexaan
  • Cicloesano
  • Cykloheksan
  • Cyclohexan
  • 110-82-7
  • Hexahydrobenzene

  • Hexanaphthene
  • Hexamethylene

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CYCLOHEXANE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of CYCLOHEXANE?
C6H12
How many atoms and what are the elements included the CYCLOHEXANE molecule?
18 atom(s) - 12 Hydrogen atom(s) and 6 Carbon atom(s)
How many chemical bonds and what kind of bonds are included the CYCLOHEXANE structure?
18 bond(s) - 6 non-H bond(s) and 1 six-membered ring(s)
What’s the CYCLOHEXANE’s molecular weight?
84.15948 g/mol
What’s the SMILES code of CYCLOHEXANE?
C1CCCCC1
What’s the InChI string of CYCLOHEXANE?
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
What’s the InChIKey code of CYCLOHEXANE?
XDTMQSROBMDMFD-UHFFFAOYSA-N

8352 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).