Home Download Structure Data File(SDF/Mol File) Trans-1,2-Diethyl-cyclopropane

Download Structure Data File(SDF/Mol File) of Trans-1,2-Diethyl-cyclopropane (C7H14)

Identification of Trans-1,2-Diethyl-cyclopropane Chemical Compound

2D chemical structure image of trans-1,2-Diethyl-cyclopropane
Chemical Formula C7H14
Molecular Weight 98.18606 g/mol
IUPAC Name (1R,2R)-1,2-diethylcyclopropane
SMILES String CCC1CC1CC
InChI InChI=1S/C7H14/c1-3-6-5-7(6)4-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKey AKOVCHSGJHQHEH-RNFRBKRXSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of trans-1,2-Diethyl-cyclopropane 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 trans-1,2-Diethyl-cyclopropane 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.

Ball-and-stick model of trans-1,2-Diethyl-cyclopropane
Ball-and-stick model of trans-1,2-Diethyl-cyclopropane

Additional Information for Identifying Trans-1,2-Diethyl-cyclopropane Molecule

  • Chemical structure of trans-1,2-Diethyl-cyclopropane

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of trans-1,2-Diethyl-cyclopropane is available in chemical structure page of trans-1,2-Diethyl-cyclopropane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of trans-1,2-Diethyl-cyclopropane

    The molecular weight of trans-1,2-Diethyl-cyclopropane is available in molecular weight page of trans-1,2-Diethyl-cyclopropane, 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 trans-1,2-Diethyl-cyclopropane

    The chemical formula of trans-1,2-Diethyl-cyclopropane is given in chemical formula page of trans-1,2-Diethyl-cyclopropane, 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 trans-1,2-Diethyl-cyclopropane

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of trans-1,2-Diethyl-cyclopropane is:

    InChI=1S/C7H14/c1-3-6-5-7(6)4-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1

    It can provide a standard way to encode the molecular information of trans-1,2-Diethyl-cyclopropane 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 trans-1,2-Diethyl-cyclopropane is:

    InChIKey=AKOVCHSGJHQHEH-RNFRBKRXSA-N

    The InChIKey may allow easier web searches for trans-1,2-Diethyl-cyclopropane, but it needs to be linked to the full InChI to get back to the original structure of the trans-1,2-Diethyl-cyclopropane since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of trans-1,2-Diethyl-cyclopropane

    The trans-1,2-Diethyl-cyclopropane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of trans-1,2-Diethyl-cyclopropane including the registry numbers are listed below, if available:

    • trans-1,2-Diethyl-cyclopropane
    • (1R,2R)-1,2-diethylcyclopropane

Trans-1,2-Diethyl-cyclopropane Identification Summary Frequently Asked Questions (FAQs)

  • What’s the trans-1,2-Diethyl-cyclopropane formula?

    C7H14
  • How many atoms and what elements are included in the trans-1,2-Diethyl-cyclopropane molecule?

    21 atom(s) – 14 Hydrogen atom(s) and 7 Carbon atom(s)
  • How many chemical bonds and what kind of bonds are in the trans-1,2-Diethyl-cyclopropane structure?

    21 bond(s) – 7 non-H bond(s), 2 rotatable bond(s) and 1 three-membered ring(s)
  • What’s the trans-1,2-Diethyl-cyclopropane’s molar mass?

    98.18606 g/mol
  • What’s the SMILES structure of trans-1,2-Diethyl-cyclopropane?

    CCC1CC1CC
  • What’s the InChI code of trans-1,2-Diethyl-cyclopropane?

    InChI=1S/C7H14/c1-3-6-5-7(6)4-2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
  • What’s the InChIKey format of trans-1,2-Diethyl-cyclopropane?

    AKOVCHSGJHQHEH-RNFRBKRXSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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