Home Structure Angelaldehyde

Structure of Angelaldehyde (C5H8O)

Identification of Angelaldehyde Chemical Compound

2D chemical structure image of Angelaldehyde
Chemical Formula C5H8O
Molecular Weight 84.11642 g/mol
IUPAC Name (2Z)-2-methylbut-2-enal
SMILES String CC=C(C)C=O
InChI InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3-
InChIKey ACWQBUSCFPJUPN-HYXAFXHYSA-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 Angelaldehyde molecule contains a total of 13 bond(s). There are 5 non-H bond(s), 2 multiple bond(s), 1 rotatable bond(s), 2 double bond(s) and 1 aldehyde(s) (aliphatic).
Images of the chemical structure of Angelaldehyde are given below:

2D chemical structure image of Angelaldehyde
2-dimensional (2D) chemical structure image of Angelaldehyde
3D chemical structure image of Angelaldehyde
3-dimensional (3D) chemical structure image of Angelaldehyde

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


An Interactive 3-dimensional (3D) Visualization of Angelaldehyde

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

The Angelaldehyde 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 Angelaldehyde 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 Angelaldehyde 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 Angelaldehyde Molecule

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

    The SMILES string of Angelaldehyde is CC=C(C)C=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Angelaldehyde.

  • Structure Data File (SDF/MOL File) of Angelaldehyde

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

  • Chemical formula of Angelaldehyde

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

  • Molecular weight of Angelaldehyde

    The molecular weight of Angelaldehyde is available in molecular weight page of Angelaldehyde, 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 Angelaldehyde

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

    • Angelaldehyde
    • 2-methyl-(E)-2-butenal
    • 2-Methyl-2(E)-butenal
    • (Z)-2-methylbut-2-enal
    • 2-Methylbut-(E)-2-enal
    • 2-Methyl-2-butenal, trans
    • (2Z)-2-methylbut-2-enal
    • (2E)-2-Methyl-2-butenal
    • 2-Methyl-2-butenal, (E)

Angelaldehyde Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Angelaldehyde?
C5H8O
How many atoms and what are the elements included the Angelaldehyde molecule?
14 atom(s) - 8 Hydrogen atom(s), 5 Carbon atom(s) and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Angelaldehyde structure?
13 bond(s) - 5 non-H bond(s), 2 multiple bond(s), 1 rotatable bond(s), 2 double bond(s) and 1 aldehyde(s) (aliphatic)
What’s the Angelaldehyde’s molecular weight?
84.11642 g/mol
What’s the SMILES code of Angelaldehyde?
CC=C(C)C=O
What’s the InChI string of Angelaldehyde?
InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3-
What’s the InChIKey code of Angelaldehyde?
ACWQBUSCFPJUPN-HYXAFXHYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
Please hyperlink "Mol-Instincts" to www.molinstincts.com.