SDF/Mol File of Benzene, 1-hexenyl-, (E) (C12H16)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Benzene, 1-hexenyl-, (E) Molecule

• Chemical structure of Benzene, 1-hexenyl-, (E)

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Benzene, 1-hexenyl-, (E) is available in chemical structure page of Benzene, 1-hexenyl-, (E), which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of Benzene, 1-hexenyl-, (E)

  The molecular weight of Benzene, 1-hexenyl-, (E) is available in molecular weight page of Benzene, 1-hexenyl-, (E), 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 Benzene, 1-hexenyl-, (E)

  The chemical formula of Benzene, 1-hexenyl-, (E) is given in chemical formula page of Benzene, 1-hexenyl-, (E), 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 Benzene, 1-hexenyl-, (E)

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of Benzene, 1-hexenyl-, (E) is:

  InChI=1S/C12H16/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5-11H,2-4H2,1H3/b9-6+

  It can provide a standard way to encode the molecular information of Benzene, 1-hexenyl-, (E) 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 Benzene, 1-hexenyl-, (E) is:

  InChIKey=KETWBQOXTBGBBN-RMKNXTFCSA-N

  The InChIKey may allow easier web searches for Benzene, 1-hexenyl-, (E), but it needs to be linked to the full InChI to get back to the original structure of the Benzene, 1-hexenyl-, (E) since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of Benzene, 1-hexenyl-, (E)

  The Benzene, 1-hexenyl-, (E) compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Benzene, 1-hexenyl-, (E) including the registry numbers are listed below, if available:

  • Benzene, 1-hexenyl-, (E)
  • Hex-1-enylbenzene
  • (1E)-1-Hexenylbenzene

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Benzene, 1-hexenyl-, (E) Identification Summary Frequently Asked Questions (FAQs)

What’s the Benzene, 1-hexenyl-, (E) formula?
C12H16
How many atoms and what elements are included in the Benzene, 1-hexenyl-, (E) molecule?
28 atom(s) - 16 Hydrogen atom(s) and 12 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the Benzene, 1-hexenyl-, (E) structure?
28 bond(s) - 12 non-H bond(s), 7 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), and 1 six-membered ring(s)
What’s the Benzene, 1-hexenyl-, (E)’s molar mass?
160.25544 g/mol
What’s the SMILES structure of Benzene, 1-hexenyl-, (E)?
CCCCC=Cc1ccccc1
What’s the InChI code of Benzene, 1-hexenyl-, (E)?
InChI=1S/C12H16/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5-11H,2-4H2,1H3/b9-6+
What’s the InChIKey format of Benzene, 1-hexenyl-, (E)?
KETWBQOXTBGBBN-RMKNXTFCSA-N

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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).