Formula of CYCLOHEXANE (C6H12)

Chemical Formula Description

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Additional Information for Identifying CYCLOHEXANE Molecule

• 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 providing the information about the atoms, bonds, connectivity and coordinates of CYCLOHEXANE, which is not completely available in the chemical formula representation. The CYCLOHEXANE structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

• Chemical structure of CYCLOHEXANE

  The chemical structure image of CYCLOHEXANE is available in chemical structure page of CYCLOHEXANE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of CYCLOHEXANE and the chemical bonds that hold the atoms together.

• 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 specified in the chemical formula of CYCLOHEXANE.

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• InChI (IUPAC International Chemical Identifier) information of CYCLOHEXANE

  The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of CYCLOHEXANE is:

  InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

  It can provide a standard way to encode the molecular information of CYCLOHEXANE to facilitate the search for the compound information in databases and on the web.
  
  

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of CYCLOHEXANE is:

  InChIKey=XDTMQSROBMDMFD-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for CYCLOHEXANE, but it needs to be linked to the full InChI to get back to the original structure of the CYCLOHEXANE since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of CYCLOHEXANE

  The CYCLOHEXANE compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of CYCLOHEXANE including the registry numbers is given below, 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 they in the CYCLOHEXANE structure?
18 atom(s) - 12 Hydrogen atom(s) and 6 Carbon atom(s)
How many chemical bonds and what are they in the CYCLOHEXANE structure?
18 bond(s) - 6 non-H bond(s) and 1 six-membered ring(s)
What’s the molecular weight of CYCLOHEXANE?
84.15948 g/mol
What’s the SMILES string of CYCLOHEXANE?
C1CCCCC1
What’s the InChI of CYCLOHEXANE?
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
What’s the InChIKey of CYCLOHEXANE?
XDTMQSROBMDMFD-UHFFFAOYSA-N

1575 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).