SDF/Mol File of CYCLOHEXANE (C6H12)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying CYCLOHEXANE Molecule

• Chemical structure of CYCLOHEXANE

  By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of CYCLOHEXANE

  The chemical formula of CYCLOHEXANE is given 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.

• InChI (IUPAC International Chemical Identifier) information of CYCLOHEXANE

  An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of CYCLOHEXANE including the registry numbers are listed 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 CYCLOHEXANE formula?
C6H12
How many atoms and what elements are included in 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 in the CYCLOHEXANE structure?
18 bond(s) - 6 non-H bond(s) and 1 six-membered ring(s)
What’s the CYCLOHEXANE’s molar mass?
84.15948 g/mol
What’s the SMILES structure of CYCLOHEXANE?
C1CCCCC1
What’s the InChI code of CYCLOHEXANE?
InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
What’s the InChIKey format of CYCLOHEXANE?
XDTMQSROBMDMFD-UHFFFAOYSA-N

2190 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).