Home Chemical Formula Angelaldehyde

Chemical Formula 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 Formula Description

The Angelaldehyde molecule contains a total of 14 atom(s). There are 8 Hydrogen atom(s), 5 Carbon atom(s) and 1 Oxygen atom(s). A chemical formula of Angelaldehyde can therefore be written as:

C5H8O

The chemical formula of Angelaldehyde shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of Angelaldehyde
Ball-and-stick model of Angelaldehyde

Additional Information for Identifying Angelaldehyde Molecule

  • Structure Data File (SDF) of Angelaldehyde

    The structure data file (SDF) of Angelaldehyde is available for download in the SDF page of Angelaldehyde providing the information about the atoms, bonds, connectivity and coordinates of Angelaldehyde, which is not completely available in the chemical formula representation. The Angelaldehyde structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

  • Chemical structure of Angelaldehyde

    The chemical structure image of Angelaldehyde is available in chemical structure page of Angelaldehyde, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Angelaldehyde and the chemical bonds that hold the atoms together.

  • 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 specified in the chemical formula of Angelaldehyde.

  • InChI (IUPAC International Chemical Identifier) information of Angelaldehyde

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Angelaldehyde is:

    InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3-

    It can provide a standard way to encode the molecular information of Angelaldehyde to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Angelaldehyde is:

    InChIKey=ACWQBUSCFPJUPN-HYXAFXHYSA-N

    The InChIKey may allow easier web searches for Angelaldehyde, but it needs to be linked to the full InChI to get back to the original structure of the Angelaldehyde since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of Angelaldehyde

    The Angelaldehyde compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Angelaldehyde including the registry numbers is given below, 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 they in the Angelaldehyde structure?

    14 atom(s) – 8 Hydrogen atom(s), 5 Carbon atom(s) and 1 Oxygen atom(s)
  • How many chemical bonds and what are they in 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 molecular weight of Angelaldehyde?

    84.11642 g/mol
  • What’s the SMILES string of Angelaldehyde?

    CC=C(C)C=O
  • What’s the InChI of Angelaldehyde?

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

    ACWQBUSCFPJUPN-HYXAFXHYSA-N

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