Download Structure Data File(SDF/Mol File) of Cis-1,2-Diethylcyclopropane (C7H14)
Identification of Cis-1,2-Diethylcyclopropane Chemical Compound
|Molecular Weight||98.18606 g/mol|
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of cis-1,2-Diethylcyclopropane 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 cis-1,2-Diethylcyclopropane 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 Cis-1,2-Diethylcyclopropane Molecule
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of cis-1,2-Diethylcyclopropane is available in chemical structure page of cis-1,2-Diethylcyclopropane, 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 cis-1,2-Diethylcyclopropane is available in molecular weight page of cis-1,2-Diethylcyclopropane, 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 cis-1,2-Diethylcyclopropane is given in chemical formula page of cis-1,2-Diethylcyclopropane, 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 cis-1,2-Diethylcyclopropane
An alternative way of expressing structural information in text format is InChI. The full standard InChI of cis-1,2-Diethylcyclopropane is:
It can provide a standard way to encode the molecular information of cis-1,2-Diethylcyclopropane 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 cis-1,2-Diethylcyclopropane is:
The InChIKey may allow easier web searches for cis-1,2-Diethylcyclopropane, but it needs to be linked to the full InChI to get back to the original structure of the cis-1,2-Diethylcyclopropane since the full standard InChI cannot be reconstructed from the InChIKey.
Other names (synonyms) or registry numbers of cis-1,2-Diethylcyclopropane
The cis-1,2-Diethylcyclopropane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of cis-1,2-Diethylcyclopropane including the registry numbers are listed below, if available:
- Cyclopropane,1,2-diethyl-, (1R,2S)-rel-
Cis-1,2-Diethylcyclopropane Identification Summary Frequently Asked Questions (FAQs)
What’s the cis-1,2-Diethylcyclopropane formula?C7H14
How many atoms and what elements are included in the cis-1,2-Diethylcyclopropane 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 cis-1,2-Diethylcyclopropane structure?21 bond(s) – 7 non-H bond(s), 2 rotatable bond(s) and 1 three-membered ring(s)
What’s the cis-1,2-Diethylcyclopropane’s molar mass?98.18606 g/mol
What’s the SMILES structure of cis-1,2-Diethylcyclopropane?CCC1CC1CC
What’s the InChI code of cis-1,2-Diethylcyclopropane?InChI=1S/C7H14/c1-3-6-5-7(6)4-2/h6-7H,3-5H2,1-2H3/t6-,7+
What’s the InChIKey format of cis-1,2-Diethylcyclopropane?AKOVCHSGJHQHEH-KNVOCYPGSA-N