Structure & Deep Data of Diethyl 3-methylglutarate (C10H18O4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Diethyl 3-methylglutarate molecule contains a total of 31 bond(s). There are 13 non-H bond(s), 2 multiple bond(s), 8 rotatable bond(s), 2 double bond(s), and 2 ester(s) (aliphatic). Images of the chemical structure of Diethyl 3-methylglutarate are given below:

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

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Additional Information for Identifying Diethyl 3-methylglutarate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Diethyl 3-methylglutarate

  The SMILES string of Diethyl 3-methylglutarate is CCOC(=O)CC(C)CC(=O)OCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Diethyl 3-methylglutarate.

• Structure Data File (SDF/MOL File) of Diethyl 3-methylglutarate

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

• Chemical formula of Diethyl 3-methylglutarate

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

• Molecular weight of Diethyl 3-methylglutarate

  The molecular weight of Diethyl 3-methylglutarate is available in molecular weight page of Diethyl 3-methylglutarate, 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 Diethyl 3-methylglutarate

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

  • AR-1L8721
  • C-51233
  • Pentanedioic acid,3-methyl-, 1,5-diethyl ester
  • 3-Methylpentanedioic acid diethyl ester
  • 3-Methylglutaric acid diethyl ester
  • Pentanedioic acid, 3-methyl-, diethyl ester
  • beta-Methyl diethyl glutarate
  • diethyl 3-methylpentanedioate
  • Pentanedioic acid, 3-methyl-, 1,5-diethyl ester
  • DIETHYL-3-METHYLGLUTARATE

  • 6829-42-1
  • Diethyl 3-methylglutarate

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Diethyl 3-methylglutarate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Diethyl 3-methylglutarate?
C10H18O4
How many atoms and what are the elements included the Diethyl 3-methylglutarate molecule?
32 atom(s) - 18 Hydrogen atom(s), 10 Carbon atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Diethyl 3-methylglutarate structure?
31 bond(s) - 13 non-H bond(s), 2 multiple bond(s), 8 rotatable bond(s), 2 double bond(s), and 2 ester(s) (aliphatic)
What’s the Diethyl 3-methylglutarate’s molecular weight?
202.24752 g/mol
What’s the SMILES code of Diethyl 3-methylglutarate?
CCOC(=O)CC(C)CC(=O)OCC
What’s the InChI string of Diethyl 3-methylglutarate?
InChI=1S/C10H18O4/c1-4-13-9(11)6-8(3)7-10(12)14-5-2/h8H,4-7H2,1-3H3
What’s the InChIKey code of Diethyl 3-methylglutarate?
SEWQUYBTRMDUQS-UHFFFAOYSA-N

26 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).