Structure & Deep Data of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate (C9H14Br2O4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate molecule contains a total of 28 bond(s). There are 14 non-H bond(s), 2 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), and 2 ester(s) (aliphatic). Images of the chemical structure of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate are given below:

The 2D chemical structure image of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate 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 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate 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 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate

  The SMILES string of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate is COC(=O)C(Br)C(C)(C)C(Br)C(=O)OC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate.

• Structure Data File (SDF/MOL File) of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate

  The structure data file (SDF/MOL File) of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate is available for download in the SDF page of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate, which provides the information about the atoms, bonds, connectivity and coordinates of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate. The 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate

  The molecular formula of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate is available in chemical formula page of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate

  The molecular weight of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate is available in molecular weight page of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate, 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 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate

  The 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate including the various registry numbers, if available:

  
  
  None available.

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1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate?
C9H14Br2O4
How many atoms and what are the elements included the 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate molecule?
29 atom(s) - 14 Hydrogen atom(s), 9 Carbon atom(s), 4 Oxygen atom(s), and 2 Bromine atom(s)
How many chemical bonds and what kind of bonds are included the 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate structure?
28 bond(s) - 14 non-H bond(s), 2 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), and 2 ester(s) (aliphatic)
What’s the 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate’s molecular weight?
346.01306 g/mol
What’s the SMILES code of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate?
COC(=O)C(Br)C(C)(C)C(Br)C(=O)OC
What’s the InChI string of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate?
InChI=1S/C9H14Br2O4/c1-9(2,5(10)7(12)14-3)6(11)8(13)15-4/h5-6H,1-4H3/t5-,6-/m1/s1
What’s the InChIKey code of 1,5-dimethyl (2S,4S)-2,4-dibromo-3,3-dimethylpentanedioate?
YONNKMSQRQYPAS-PHDIDXHHSA-N

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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).