Download Structure Data File(SDF/Mol File) of Trans-1,2-Diethyl-cyclopropane (C7H14)
Identification of Trans-1,2-Diethyl-cyclopropane Chemical Compound
|Molecular Weight||98.18606 g/mol|
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.
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.
Additional Information for Identifying Trans-1,2-Diethyl-cyclopropane Molecule
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.
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.
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:
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:
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 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