SDF/Mol File of (5-iodopentyl)benzene (C11H15I)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying (5-iodopentyl)benzene Molecule

• Chemical structure of (5-iodopentyl)benzene

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (5-iodopentyl)benzene is available in chemical structure page of (5-iodopentyl)benzene, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of (5-iodopentyl)benzene

  The molecular weight of (5-iodopentyl)benzene is available in molecular weight page of (5-iodopentyl)benzene, 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 (5-iodopentyl)benzene

  The chemical formula of (5-iodopentyl)benzene is given in chemical formula page of (5-iodopentyl)benzene, 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 (5-iodopentyl)benzene

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of (5-iodopentyl)benzene is:

  InChI=1S/C11H15I/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2

  It can provide a standard way to encode the molecular information of (5-iodopentyl)benzene 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 (5-iodopentyl)benzene is:

  InChIKey=QVQYOJLZAUEILK-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for (5-iodopentyl)benzene, but it needs to be linked to the full InChI to get back to the original structure of the (5-iodopentyl)benzene since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of (5-iodopentyl)benzene

  The (5-iodopentyl)benzene compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (5-iodopentyl)benzene including the registry numbers are listed below, if available:

  
  
  None available.

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(5-iodopentyl)benzene Identification Summary Frequently Asked Questions (FAQs)

What’s the (5-iodopentyl)benzene formula?
C11H15I
How many atoms and what elements are included in the (5-iodopentyl)benzene molecule?
27 atom(s) - 15 Hydrogen atom(s), 11 Carbon atom(s), and 1 Iodine atom(s)
How many chemical bonds and what kind of bonds are in the (5-iodopentyl)benzene structure?
27 bond(s) - 12 non-H bond(s), 6 multiple bond(s), 4 rotatable bond(s), 6 aromatic bond(s), and 1 six-membered ring(s)
What’s the (5-iodopentyl)benzene’s molar mass?
274.14127 g/mol
What’s the SMILES structure of (5-iodopentyl)benzene?
ICCCCCc1ccccc1
What’s the InChI code of (5-iodopentyl)benzene?
InChI=1S/C11H15I/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
What’s the InChIKey format of (5-iodopentyl)benzene?
QVQYOJLZAUEILK-UHFFFAOYSA-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).