Structure & Deep Data of DIETHYL ADIPATE (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 ADIPATE molecule contains a total of 31 bond(s). There are 13 non-H bond(s), 2 multiple bond(s), 9 rotatable bond(s), 2 double bond(s), and 2 ester(s) (aliphatic). Images of the chemical structure of DIETHYL ADIPATE are given below:

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

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Additional Information for Identifying DIETHYL ADIPATE Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of DIETHYL ADIPATE

  The SMILES string of DIETHYL ADIPATE is CCOC(=O)CCCCC(=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 ADIPATE.

• Structure Data File (SDF/MOL File) of DIETHYL ADIPATE

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

• Chemical formula of DIETHYL ADIPATE

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

• Molecular weight of DIETHYL ADIPATE

  The molecular weight of DIETHYL ADIPATE is available in molecular weight page of DIETHYL ADIPATE, 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 ADIPATE

  The DIETHYL ADIPATE 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 ADIPATE including the various registry numbers, if available:

  • AR-1I9628
  • Z1137991405
  • F1905-6995
  • S14-1430
  • J-007477
  • A807746
  • Diethyl adipate, Vetec(TM) reagent grade, 98%
  • EN300-19693
  • A0162
  • (C18-C28) Alcohol ester of adipic acid

  • 68989-28-6
  • Hexanedioic acid, C18-28-alkyl esters
  • Diethyl adipate, ReagentPlus(R), 99%
  • RTR-030711
  • MFCD00009215
  • ANW-20612
  • Diethyl adipate, analytical standard
  • 7B19K45L6C
  • Diethyl adipate, >=99%, FG
  • BIDD:ER0365

  • Hexanedioic acid, di-C8-26-alkyl esters
  • (C8-C26) Alkylalcohol adipate diester
  • Adipic acid diethyl
  • diethyladipate
  • Di-C8-26-alkyl adipates
  • diethyl hexane-1,6-dioate
  • 68201-71-8
  • Ethyl .delta.-carboethoxyvalerate
  • hexanedioic acid diethyl ester
  • Diethylester kyseliny adipove [Czech]

  • Hexanedioic acid, 1,6-diethyl ester
  • Ethyl delta-carboethoxyvalerate
  • Diethylester kyseliny adipove
  • Diethylhexanedioic acid
  • Hexanedioic acid, diethyl-
  • ADIPIC ACID DIETHYL ESTER
  • Adipic acid, diethyl ester
  • Hexanedioic acid, diethyl ester
  • Ethyl adipate
  • Diethyl hexanedioate

  • 141-28-6
  • DIETHYL ADIPATE

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DIETHYL ADIPATE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of DIETHYL ADIPATE?
C10H18O4
How many atoms and what are the elements included the DIETHYL ADIPATE 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 ADIPATE structure?
31 bond(s) - 13 non-H bond(s), 2 multiple bond(s), 9 rotatable bond(s), 2 double bond(s), and 2 ester(s) (aliphatic)
What’s the DIETHYL ADIPATE’s molecular weight?
202.24752 g/mol
What’s the SMILES code of DIETHYL ADIPATE?
CCOC(=O)CCCCC(=O)OCC
What’s the InChI string of DIETHYL ADIPATE?
InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3
What’s the InChIKey code of DIETHYL ADIPATE?
VIZORQUEIQEFRT-UHFFFAOYSA-N

1200 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).