Home Chemical Structure Tiglic aldehyde

Chemical Structure of Tiglic aldehyde (C5H8O)

Identification of Tiglic aldehyde Chemical Compound

2D chemical structure image of Tiglic aldehyde
Chemical Formula C5H8O
Molecular Weight 84.11642 g/mol
IUPAC Name (2E)-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-HWKANZROSA-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 Tiglic aldehyde 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 Tiglic aldehyde are given below:

2D chemical structure image of Tiglic aldehyde
2-dimensional (2D) chemical structure image of Tiglic aldehyde
3D chemical structure image of Tiglic aldehyde
3-dimensional (3D) chemical structure image of Tiglic aldehyde

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


An Interactive 3-dimensional (3D) Visualization of Tiglic aldehyde

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

The Tiglic aldehyde 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 Tiglic aldehyde 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 Tiglic aldehyde 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 Tiglic aldehyde Molecule

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

    The SMILES string of Tiglic aldehyde 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 Tiglic aldehyde.

  • Structure Data File (SDF/MOL File) of Tiglic aldehyde

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

  • Chemical formula of Tiglic aldehyde

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

  • Molecular weight of Tiglic aldehyde

    The molecular weight of Tiglic aldehyde is available in molecular weight page of Tiglic aldehyde, 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 Tiglic aldehyde

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

    • Tiglic aldehyde
    • trans-2-Methyl-2-butenal
    • Tiglaldehyde
    • 497-03-0
    • (E)-2-Methylbut-2-enal
    • Tiglic acid aldehyde
    • 2-Methylcrotonaldehyde
    • 2-METHYL-2-BUTENAL
    • E-2-Methyl-2-butenal
    • 2-Butenal, 2-methyl-, (E)-
    • Tigaldehyde, trans-
    • 2,3-Dimethylacrolein
    • Tiglinaldehyde
    • trans-Tiglaldehyde
    • 2-Butenal, 2-methyl-, (2E)-
    • Crotonaldehyde, 2-methyl-, (E)-
    • trans-2,3-Dimethylacrolein
    • 2-methylbut-2-enal
    • 2-Methyl-2-butenal, trans-
    • 2-Methylcrotonaldehyde, (E)-
    • FEMA No. 3407
    • 2-Methyl-2-butenal, (E)-
    • 1115-11-3
    • 2-Methylbut-2-en-1-al, (E)-
    • 2-Butenal, 2-methyl-
    • MFCD00006977
    • trans-2-Methylcrotonaldehyde
    • 6038-09-1
    • 2-methyl-(E)-2-butenal
    • tiglinaldehydn
    • tiglic aldehydn
    • (E)-tiglaldehyde
    • (e)-2-methyl-2-butenal
    • Tiglic aldehyde, >=96%
    • 2-Butenal,2-methyl-(Z)-
    • 27ZVE2K81C
    • 2-Butenal,2-methyl-, (Z)-
    • 7385AF
    • CAS-497-03-0
    • Crotonaldehyde, 2-methyl-, (E)- (8CI)
    • trans-2-Methyl-2-butenal, analytical standard
    • EN300-109078
    • I14-43585
    • I14-48659
    • trans-2-Methyl-2-butenal, sum of isomers, >=99%, FG
    • 2-methylbut-2-enal
    • 1115-11-3
    • 6038-09-1
    • 497-03-0
    • Tiglinaldehyde
    • trans-2,3-Dimethylacrolein
    • 2-Butenal,2-methyl-, (Z)-
    • 2,3-Dimethylacrolein
    • 2-Butenal, 2-methyl-
    • 2-Methylcrotonaldehyde
    • Crotonaldehyde, 2-methyl-, (E)-
    • 2-Butenal, 2-methyl-, (2E)-
    • 2-Butenal,2-methyl-(Z)-
    • 2-METHYL-2-BUTENAL
    • TIGLIC ALDEHYDE
    • 2-Butenal, 2-methyl-, (E)-
    • E-2-Methyl-2-butenal
    • 2-Methyl-2-butenal, (E)-
    • Tiglaldehyde
    • Tiglic acid aldehyde
    • trans-2-Methyl-2-butenal
    • trans-Tiglaldehyde
    • Crotonaldehyde, 2-methyl-, (E)- (8CI)
    • FEMA No. 3407
    • 2-Methyl-2-butenal, trans-
    • 2-Methylcrotonaldehyde, (E)-
    • 2-Methylbut-2-en-1-al, (E)-
    • Crotonaldehyde, 2-methyl-
    • Tigaldehyde, trans-
    • AR-1E3870

Tiglic aldehyde Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of Tiglic aldehyde?

    C5H8O
  • How many atoms and what are the elements included the Tiglic aldehyde 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 Tiglic aldehyde 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 Tiglic aldehyde’s molecular weight?

    84.11642 g/mol
  • What’s the SMILES code of Tiglic aldehyde?

    CC=C(C)C=O
  • What’s the InChI string of Tiglic aldehyde?

    InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+
  • What’s the InChIKey code of Tiglic aldehyde?

    ACWQBUSCFPJUPN-HWKANZROSA-N

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