SDF/Mol File of N-Butylhydroperoxide (C4H10O2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying N-Butylhydroperoxide Molecule

• Chemical structure of n-Butylhydroperoxide

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

• Molecular weight of n-Butylhydroperoxide

  The molecular weight of n-Butylhydroperoxide is available in molecular weight page of n-Butylhydroperoxide, 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 n-Butylhydroperoxide

  The chemical formula of n-Butylhydroperoxide is given in chemical formula page of n-Butylhydroperoxide, 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 n-Butylhydroperoxide

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of n-Butylhydroperoxide is:

  InChI=1S/C4H10O2/c1-2-3-4-6-5/h5H,2-4H2,1H3

  It can provide a standard way to encode the molecular information of n-Butylhydroperoxide 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 n-Butylhydroperoxide is:

  InChIKey=AKUNSTOMHUXJOZ-UHFFFAOYSA-N

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

• Other names (synonyms) or registry numbers of n-Butylhydroperoxide

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

  • PROPYL, 3-HYDROPEROXY-1-METHYL-
  • 4-HYDROPEROXYBUTYL
  • n-C4H9OOH
  • 1-hydroperoxybutane
  • butylhydroperoxide
  • butylperoxy
  • n-Butylperoxide
  • 4813-50-7
  • N-Butyl hydroperoxide
  • Butyl hydroperoxide

  • Hydroperoxide, butyl
  • n-Butylhydroperoxide

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N-Butylhydroperoxide Identification Summary Frequently Asked Questions (FAQs)

What’s the n-Butylhydroperoxide formula?
C4H10O2
How many atoms and what elements are included in the n-Butylhydroperoxide molecule?
16 atom(s) - 10 Hydrogen atom(s), 4 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the n-Butylhydroperoxide structure?
15 bond(s) - 5 non-H bond(s), 3 rotatable bond(s), and 1 hydroxyl group(s)
What’s the n-Butylhydroperoxide’s molar mass?
90.121 g/mol
What’s the SMILES structure of n-Butylhydroperoxide?
CCCCOO
What’s the InChI code of n-Butylhydroperoxide?
InChI=1S/C4H10O2/c1-2-3-4-6-5/h5H,2-4H2,1H3
What’s the InChIKey format of n-Butylhydroperoxide?
AKUNSTOMHUXJOZ-UHFFFAOYSA-N

66 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).