Structure of 1,3,5-Octatriene (C8H12)

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Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1,3,5-Octatriene molecule contains a total of 19 bond(s). There are 7 non-H bond(s), 3 multiple bond(s), 3 rotatable bond(s), and 3 double bond(s). Images of the chemical structure of 1,3,5-Octatriene are given below:

The 2D chemical structure image of 1,3,5-Octatriene is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1,3,5-Octatriene 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 1,3,5-Octatriene 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 1,3,5-Octatriene. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 1,3,5-Octatriene Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 1,3,5-Octatriene

  The SMILES string of 1,3,5-Octatriene is CCC=CC=CC=C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1,3,5-Octatriene.

• Structure Data File (SDF/MOL File) of 1,3,5-Octatriene

  The structure data file (SDF/MOL File) of 1,3,5-Octatriene is available for download in the SDF page of 1,3,5-Octatriene, which provides the information about the atoms, bonds, connectivity and coordinates of 1,3,5-Octatriene. The 1,3,5-Octatriene structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 1,3,5-Octatriene

  The molecular formula of 1,3,5-Octatriene is available in chemical formula page of 1,3,5-Octatriene, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 1,3,5-Octatriene

  The molecular weight of 1,3,5-Octatriene is available in molecular weight page of 1,3,5-Octatriene, 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 1,3,5-Octatriene

  The 1,3,5-Octatriene compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1,3,5-Octatriene including the various registry numbers, if available:

  • (3E,5E)-1,3,5-Octatriene
  • Octatriene, 1,3-trans-5-trans-

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1,3,5-Octatriene Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1,3,5-Octatriene?
C8H12
How many atoms and what are the elements included the 1,3,5-Octatriene molecule?
20 atom(s) - 12 Hydrogen atom(s) and 8 Carbon atom(s)
How many chemical bonds and what kind of bonds are included the 1,3,5-Octatriene structure?
19 bond(s) - 7 non-H bond(s), 3 multiple bond(s), 3 rotatable bond(s), and 3 double bond(s)
What’s the 1,3,5-Octatriene’s molecular weight?
108.18088 g/mol
What’s the SMILES code of 1,3,5-Octatriene?
CCC=CC=CC=C
What’s the InChI string of 1,3,5-Octatriene?
InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3,5-8H,1,4H2,2H3/b7-5+,8-6+
What’s the InChIKey code of 1,3,5-Octatriene?
HOXGZVUCAYFWGR-KQQUZDAGSA-N