Home Chemical Structure 4-Propylheptane

Chemical Structure of 4-Propylheptane (C10H22)

Identification of 4-Propylheptane Chemical Compound

2D chemical structure image of 4-Propylheptane
Chemical Formula C10H22
Molecular Weight 142.28168 g/mol
IUPAC Name 4-propylheptane
SMILES String CCCC(CCC)CCC
InChI InChI=1S/C10H22/c1-4-7-10(8-5-2)9-6-3/h10H,4-9H2,1-3H3
InChIKey ABYGSZMCWVXFCQ-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 4-Propylheptane molecule contains a total of 31 bond(s). There are 9 non-H bond(s) and 6 rotatable bond(s).
Images of the chemical structure of 4-Propylheptane are given below:

2D chemical structure image of 4-Propylheptane
2-dimensional (2D) chemical structure image of 4-Propylheptane
3D chemical structure image of 4-Propylheptane
3-dimensional (3D) chemical structure image of 4-Propylheptane

The 2D chemical structure image of 4-Propylheptane is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 4-Propylheptane 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 4-Propylheptane 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 4-Propylheptane.


An Interactive 3-dimensional (3D) Visualization of 4-Propylheptane

For a better understanding of the chemical structure, an interactive 3D visualization of 4-Propylheptane is provided here.

The 4-Propylheptane 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 4-Propylheptane 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 4-Propylheptane 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 4-Propylheptane Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of 4-Propylheptane

    The SMILES string of 4-Propylheptane is CCCC(CCC)CCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 4-Propylheptane.

  • Structure Data File (SDF/MOL File) of 4-Propylheptane

    The structure data file (SDF/MOL File) of 4-Propylheptane is available for download in the SDF page of 4-Propylheptane, which provides the information about the atoms, bonds, connectivity and coordinates of 4-Propylheptane. The 4-Propylheptane structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of 4-Propylheptane

    The molecular formula of 4-Propylheptane is available in chemical formula page of 4-Propylheptane, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of 4-Propylheptane

    The molecular weight of 4-Propylheptane is available in molecular weight page of 4-Propylheptane, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

  • Other names (synonyms) or registry numbers of 4-Propylheptane

    The 4-Propylheptane compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 4-Propylheptane including the various registry numbers, if available:

    • 4-Propylheptane
    • Heptane, 4-propyl-
    • 3178-29-8
    • LMFA11000697
    • C-53638

4-Propylheptane Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of 4-Propylheptane?

    C10H22
  • How many atoms and what are the elements included the 4-Propylheptane molecule?

    32 atom(s) – 22 Hydrogen atom(s) and 10 Carbon atom(s)
  • How many chemical bonds and what kind of bonds are included the 4-Propylheptane structure?

    31 bond(s) – 9 non-H bond(s) and 6 rotatable bond(s)
  • What’s the 4-Propylheptane’s molecular weight?

    142.28168 g/mol
  • What’s the SMILES code of 4-Propylheptane?

    CCCC(CCC)CCC
  • What’s the InChI string of 4-Propylheptane?

    InChI=1S/C10H22/c1-4-7-10(8-5-2)9-6-3/h10H,4-9H2,1-3H3
  • What’s the InChIKey code of 4-Propylheptane?

    ABYGSZMCWVXFCQ-UHFFFAOYSA-N

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