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SDF/Mol File of 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate (C14H21NO6)

Identification of 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate Chemical Compound

2D chemical structure image of 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate
Chemical Formula C14H21NO6
Molecular Weight 299.31964 g/mol
IUPAC Name 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate
SMILES String CCOC(=O)CC(CC(=O)OCC)C(C#N)C(=O)OCC
InChI InChI=1S/C14H21NO6/c1-4-19-12(16)7-10(8-13(17)20-5-2)11(9-15)14(18)21-6-3/h10-11H,4-8H2,1-3H3/t11-/m0/s1
InChIKey DSZQUCSUNQEHCU-NSHDSACASA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate
Ball-and-stick model of 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate

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Additional Information for Identifying 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate Molecule

  • Other names (synonyms) or registry numbers of 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate

    The 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate including the registry numbers are listed below, if available:



    None available.


1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate Identification Summary Frequently Asked Questions (FAQs)

What’s the 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate formula?
C14H21NO6
How many atoms and what elements are included in the 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate molecule?
42 atom(s) - 21 Hydrogen atom(s), 14 Carbon atom(s), 1 Nitrogen atom(s), and 6 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate structure?
41 bond(s) - 20 non-H bond(s), 4 multiple bond(s), 12 rotatable bond(s), 3 double bond(s), 1 triple bond(s), 3 ester(s) (aliphatic), and 1 nitrile(s) (aliphatic)
What’s the 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate’s molar mass?
299.31964 g/mol
What’s the SMILES structure of 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate?
CCOC(=O)CC(CC(=O)OCC)C(C#N)C(=O)OCC
What’s the InChI code of 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate?
InChI=1S/C14H21NO6/c1-4-19-12(16)7-10(8-13(17)20-5-2)11(9-15)14(18)21-6-3/h10-11H,4-8H2,1-3H3/t11-/m0/s1
What’s the InChIKey format of 1,5-diethyl (2R)-2-cyano-3-(2-ethoxy-2-oxoethyl)pentanedioate?
DSZQUCSUNQEHCU-NSHDSACASA-N

24 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).

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