Formula of CYCLOHEXANONE (C6H10O)

Chemical Formula Description

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Additional Information for Identifying CYCLOHEXANONE Molecule

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

  The structure data file (SDF/MOL File) of CYCLOHEXANONE is available for download in the SDF page of CYCLOHEXANONE providing the information about the atoms, bonds, connectivity and coordinates of CYCLOHEXANONE, which is not completely available in the chemical formula representation. The CYCLOHEXANONE structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

• Chemical structure of CYCLOHEXANONE

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

• Molecular weight of CYCLOHEXANONE

  The molecular weight of CYCLOHEXANONE is available in molecular weight page of CYCLOHEXANONE, 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 CYCLOHEXANONE.

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• InChI (IUPAC International Chemical Identifier) information of CYCLOHEXANONE

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

  InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

  It can provide a standard way to encode the molecular information of CYCLOHEXANONE 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 CYCLOHEXANONE is:

  InChIKey=JHIVVAPYMSGYDF-UHFFFAOYSA-N

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

• Other names (synonyms) or registry numbers of CYCLOHEXANONE

  The CYCLOHEXANONE compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of CYCLOHEXANONE including the registry numbers is given below, if available:

  • BBV-46883748
  • 11119-77-0
  • cyclohexanon, homopolymer (mittlere molmasse 415-750 g/mol)
  • Z955123528
  • F0001-0185
  • I14-53082
  • I14-20861
  • J-520160
  • I01-1194
  • Cyclohexanone, puriss. p.a., >=99.5% (GC)

  • Cyclohexanone, Vetec(TM) reagent grade, 98%
  • Cyclohexanone, JIS special grade, >=99.0%
  • Cyclohexanone [UN1915] [Flammable liquid]
  • Y1320
  • Cyclohexanone, Selectophore(TM), >=99.5%
  • Cyclohexanone [UN1915] [Flammable liquid]
  • Cyclohexanone, SAJ first grade, >=98.0%
  • Cyclohexanone, puriss., >=99.5% (GC)
  • Cyclohexanone, ReagentPlus(R), 99.8%
  • Cyclohexanone, ACS reagent, >=99.0%

  • UN 1915
  • RTR-002012
  • ANW-15994
  • Cyclohexanone - Reagent Grade ACS
  • HMS3039C04
  • Cyclohexanone, analytical standard
  • Cyclohexanone, AR, >=99.5%
  • HMDB03315
  • Cyclohexanone, p.a., 99.0%
  • Cyclohexanone (Industrial Grade)

  • Cyclohexanone, 99% 100ml
  • 5QOR3YM052
  • Cyclohexanone, LR, >=99%
  • BIDD:ER0292
  • CYCLOHEXYL, 2-OXO-
  • bmse000405
  • CYCLOHEXANONE, ACS
  • Cyclohexanone, 99.8%
  • Cyclohexanone homopolymer
  • BDBM6

  • cyclohexanone,homopolymer
  • resins, cyclohexanone
  • Cyclohexanon(dutch)
  • Hydrol-e
  • 2-cyclohexanone
  • hexanoe
  • CAS-108-94-1
  • 9075-99-4
  • CYH
  • Cyclohexanone-1-13C

  • 9003-41-2
  • MFCD00001625
  • cyclohexan-1-one
  • cyclohexyloxy
  • EPA Pesticide Chemical Code 025902
  • RCRA waste no. U057
  • POLYCYCLOHEXANONE
  • Cykloheksanon [Polish]
  • Cicloesanone [Italian]
  • Caswell No. 270

  • Cyclohexanon [Dutch]
  • Cyclic ketone
  • RCRA waste number U057
  • Hytrolo
  • Cyclohexanone, homopolymer
  • Cykloheksanon
  • Cicloesanone
  • Pimelin ketone
  • oxocyclohexane
  • ketocyclohexane

  • Cyclohexanon
  • Hytrol O
  • Hexanon
  • Anon
  • Anone
  • Nadone
  • Cyclohexyl ketone
  • Sextone
  • Ketohexamethylene
  • Pimelic ketone

  • 108-94-1

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CYCLOHEXANONE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of CYCLOHEXANONE?
C6H10O
How many atoms and what are they in the CYCLOHEXANONE structure?
17 atom(s) - 10 Hydrogen atom(s), 6 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what are they in the CYCLOHEXANONE structure?
17 bond(s) - 7 non-H bond(s), 1 multiple bond(s), 1 double bond(s), 1 six-membered ring(s), and 1 ketone(s) (aliphatic)
What’s the molecular weight of CYCLOHEXANONE?
98.143 g/mol
What’s the SMILES string of CYCLOHEXANONE?
O=C1CCCCC1
What’s the InChI of CYCLOHEXANONE?
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
What’s the InChIKey of CYCLOHEXANONE?
JHIVVAPYMSGYDF-UHFFFAOYSA-N

1708 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).