SDF/Mol File of DIETHYL METHYLMALONATE (C8H14O4)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying DIETHYL METHYLMALONATE Molecule

• Chemical structure of DIETHYL METHYLMALONATE

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of DIETHYL METHYLMALONATE is available in chemical structure page of DIETHYL METHYLMALONATE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of DIETHYL METHYLMALONATE

  The molecular weight of DIETHYL METHYLMALONATE is available in molecular weight page of DIETHYL METHYLMALONATE, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of DIETHYL METHYLMALONATE

  The chemical formula of DIETHYL METHYLMALONATE is given in chemical formula page of DIETHYL METHYLMALONATE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of DIETHYL METHYLMALONATE

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of DIETHYL METHYLMALONATE is:

  InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3

  It can provide a standard way to encode the molecular information of DIETHYL METHYLMALONATE to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of DIETHYL METHYLMALONATE is:

  InChIKey=UPQZOUHVTJNGFK-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for DIETHYL METHYLMALONATE, but it needs to be linked to the full InChI to get back to the original structure of the DIETHYL METHYLMALONATE since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of DIETHYL METHYLMALONATE

  The DIETHYL METHYLMALONATE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of DIETHYL METHYLMALONATE including the registry numbers are listed below, if available:

  • 581796-71-6
  • Z1258578268
  • F0001-1595
  • PROPYL, 3-ETHOXY-2-(ETHOXYCARBONYL)-3-OXO-
  • I14-1443
  • Diethyl methylmalonate, puriss., >=99.0% (GC)
  • C-05839
  • Propanedioicacid, 2-methyl-, 1,3-diethyl ester
  • Propanedioic acid, 2-methyl-, diethyl ester
  • Malonic acid, methyl-, diethyl ester (8CI)

  • M0366
  • H383
  • 141885-94-1
  • 2-methyl-propanedioic acid diethyl ester
  • RTR-037263
  • Methylpropanedioic acid, diethyl ester
  • Methyl-propanedioic acid diethyl ester
  • MFCD00009162
  • ANW-33612
  • Methylpropanedioic acid diethyl ester

  • diethyl 2-methylpropane-1,3-dioate
  • DIETHYL METHYLMALONATE, TECH
  • 2-methyl-malonic acid diethyl ester
  • 2-Methylmalonic acid diethyl ester
  • Methylmalonic acid, diethyl ester
  • Methyl-malonic acid diethyl ester
  • methylmalonic acid diethylester
  • Diethyl methylmalonate, 99%
  • 2-Methylmalonic acid diethyl
  • diethyl alpha-methylmalonate

  • diethyl 2-methyl-malonate
  • diethyl monomethylmalonate
  • diethyl methyl-malonate
  • Ethyl methylmalonate (VAN)
  • M-4140
  • Propanedioic acid, 2-methyl-, 1,3-diethyl ester
  • DIETHYLMETHYLMALONATE
  • Malonic acid, methyl-, diethyl ester
  • diethyl methylpropanedioate
  • Ethyl methylmalonate

  • diethyl 2-methylpropanedioate
  • Propanedioic acid, methyl-, diethyl ester
  • Diethyl 2-methylmalonate
  • Methylmalonic acid diethyl ester
  • 609-08-5
  • DIETHYL METHYLMALONATE

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DIETHYL METHYLMALONATE Identification Summary Frequently Asked Questions (FAQs)

What’s the DIETHYL METHYLMALONATE formula?
C8H14O4
How many atoms and what elements are included in the DIETHYL METHYLMALONATE molecule?
26 atom(s) - 14 Hydrogen atom(s), 8 Carbon atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the DIETHYL METHYLMALONATE structure?
25 bond(s) - 11 non-H bond(s), 2 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), and 2 ester(s) (aliphatic)
What’s the DIETHYL METHYLMALONATE’s molar mass?
174.19436 g/mol
What’s the SMILES structure of DIETHYL METHYLMALONATE?
CCOC(=O)C(C)C(=O)OCC
What’s the InChI code of DIETHYL METHYLMALONATE?
InChI=1S/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H3
What’s the InChIKey format of DIETHYL METHYLMALONATE?
UPQZOUHVTJNGFK-UHFFFAOYSA-N

50 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).