Structure & Deep Data of Isooctyl methacrylate (C12H22O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Isooctyl methacrylate molecule contains a total of 35 bond(s). There are 13 non-H bond(s), 2 multiple bond(s), 8 rotatable bond(s), 2 double bond(s), and 1 ester(s) (aliphatic). Images of the chemical structure of Isooctyl methacrylate are given below:

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

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Additional Information for Identifying Isooctyl methacrylate Molecule

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

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

• Structure Data File (SDF/MOL File) of Isooctyl methacrylate

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

• Chemical formula of Isooctyl methacrylate

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

• Molecular weight of Isooctyl methacrylate

  The molecular weight of Isooctyl methacrylate is available in molecular weight page of Isooctyl methacrylate, 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 Isooctyl methacrylate

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

  • I14-13905
  • C-09253
  • 2-Propenoic acid,2-methyl-, isooctyl ester
  • MFCD00080603
  • iso-octyl methacrylate
  • 2-Propenoic acid, 2-methyl-, isooctyl ester
  • 28675-80-1
  • Isooctyl methacrylate

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Isooctyl methacrylate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Isooctyl methacrylate?
C12H22O2
How many atoms and what are the elements included the Isooctyl methacrylate molecule?
36 atom(s) - 22 Hydrogen atom(s), 12 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Isooctyl methacrylate structure?
35 bond(s) - 13 non-H bond(s), 2 multiple bond(s), 8 rotatable bond(s), 2 double bond(s), and 1 ester(s) (aliphatic)
What’s the Isooctyl methacrylate’s molecular weight?
198.30188 g/mol
What’s the SMILES code of Isooctyl methacrylate?
CC(C)CCCCCOC(=O)C(C)=C
What’s the InChI string of Isooctyl methacrylate?
InChI=1S/C12H22O2/c1-10(2)8-6-5-7-9-14-12(13)11(3)4/h10H,3,5-9H2,1-2,4H3
What’s the InChIKey code of Isooctyl methacrylate?
NQSLZEHVGKWKAY-UHFFFAOYSA-N

18 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).