Home Chemical Structure N-Butylhydroperoxide

Chemical Structure of N-Butylhydroperoxide (C4H10O2)

Identification of N-Butylhydroperoxide Chemical Compound

2D chemical structure image of n-Butylhydroperoxide
Chemical Formula C4H10O2
Molecular Weight 90.121 g/mol
IUPAC Name butane-1-peroxol
SMILES String CCCCOO
InChI InChI=1S/C4H10O2/c1-2-3-4-6-5/h5H,2-4H2,1H3
InChIKey AKUNSTOMHUXJOZ-UHFFFAOYSA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The n-Butylhydroperoxide molecule contains a total of 15 bond(s). There are 5 non-H bond(s), 3 rotatable bond(s) and 1 hydroxyl group(s).
Images of the chemical structure of n-Butylhydroperoxide are given below:

2D chemical structure image of n-Butylhydroperoxide
2-dimensional (2D) chemical structure image of n-Butylhydroperoxide
3D chemical structure image of n-Butylhydroperoxide
3-dimensional (3D) chemical structure image of n-Butylhydroperoxide

The 2D chemical structure image of n-Butylhydroperoxide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of n-Butylhydroperoxide are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of n-Butylhydroperoxide is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of n-Butylhydroperoxide.


An Interactive 3-dimensional (3D) Visualization of N-Butylhydroperoxide

For a better understanding of the chemical structure, an interactive 3D visualization of n-Butylhydroperoxide is provided here.

The n-Butylhydroperoxide molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the n-Butylhydroperoxide molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of n-Butylhydroperoxide can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file.


Additional Information for Identifying N-Butylhydroperoxide Molecule

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

    The n-Butylhydroperoxide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of n-Butylhydroperoxide including the various registry numbers, if available:

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

N-Butylhydroperoxide Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of n-Butylhydroperoxide?

    C4H10O2
  • How many atoms and what are the elements included 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 included 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 molecular weight?

    90.121 g/mol
  • What’s the SMILES code of n-Butylhydroperoxide?

    CCCCOO
  • What’s the InChI string of n-Butylhydroperoxide?

    InChI=1S/C4H10O2/c1-2-3-4-6-5/h5H,2-4H2,1H3
  • What’s the InChIKey code of n-Butylhydroperoxide?

    AKUNSTOMHUXJOZ-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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