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Structure & Deep Data 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. Download structure data file (SDF/MOL) file of this compound.


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Interactive 3D Visualization

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 an image file.


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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:

    • 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

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

346 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).

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