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Structure & Deep Data of 1-Decen-5-one (C10H18O)

Identification of 1-Decen-5-one Chemical Compound

2D chemical structure image of 1-Decen-5-one
Chemical Formula C10H18O
Molecular Weight 154.24932 g/mol
IUPAC Name dec-1-en-5-one
SMILES String CCCCCC(=O)CCC=C
InChI InChI=1S/C10H18O/c1-3-5-7-9-10(11)8-6-4-2/h4H,2-3,5-9H2,1H3
InChIKey ZPZXBUHERZBXJC-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 1-Decen-5-one molecule contains a total of 28 bond(s). There are 10 non-H bond(s), 2 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), and 1 ketone(s) (aliphatic). Images of the chemical structure of 1-Decen-5-one are given below:

2D chemical structure image of 1-Decen-5-one
2-dimensional (2D) chemical structure image of 1-Decen-5-one
3D chemical structure image of 1-Decen-5-one
3-dimensional (3D) chemical structure image of 1-Decen-5-one

The 2D chemical structure image of 1-Decen-5-one is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1-Decen-5-one 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 1-Decen-5-one 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 1-Decen-5-one. 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 1-Decen-5-one is provided here.

The 1-Decen-5-one 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 1-Decen-5-one 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 1-Decen-5-one 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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  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying 1-Decen-5-one Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of 1-Decen-5-one

    The SMILES string of 1-Decen-5-one is CCCCCC(=O)CCC=C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1-Decen-5-one.

  • Structure Data File (SDF/MOL File) of 1-Decen-5-one

    The structure data file (SDF/MOL File) of 1-Decen-5-one is available for download in the SDF page of 1-Decen-5-one, which provides the information about the atoms, bonds, connectivity and coordinates of 1-Decen-5-one. The 1-Decen-5-one structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of 1-Decen-5-one

    The molecular formula of 1-Decen-5-one is available in chemical formula page of 1-Decen-5-one, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of 1-Decen-5-one

    The molecular weight of 1-Decen-5-one is available in molecular weight page of 1-Decen-5-one, 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 1-Decen-5-one

    The 1-Decen-5-one compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1-Decen-5-one including the various registry numbers, if available:

    • 1-Decen-5-one

1-Decen-5-one Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-Decen-5-one?
C10H18O
How many atoms and what are the elements included the 1-Decen-5-one molecule?
29 atom(s) - 18 Hydrogen atom(s), 10 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 1-Decen-5-one structure?
28 bond(s) - 10 non-H bond(s), 2 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), and 1 ketone(s) (aliphatic)
What’s the 1-Decen-5-one’s molecular weight?
154.24932 g/mol
What’s the SMILES code of 1-Decen-5-one?
CCCCCC(=O)CCC=C
What’s the InChI string of 1-Decen-5-one?
InChI=1S/C10H18O/c1-3-5-7-9-10(11)8-6-4-2/h4H,2-3,5-9H2,1H3
What’s the InChIKey code of 1-Decen-5-one?
ZPZXBUHERZBXJC-UHFFFAOYSA-N

29 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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