SDF/Mol File of 1-ethyl-4-propylbenzene (C11H16)
Identification of 1-ethyl-4-propylbenzene Chemical Compound
|Molecular Weight||148.24474 g/mol|
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 1-ethyl-4-propylbenzene 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 1-ethyl-4-propylbenzene 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 1-ethyl-4-propylbenzene Molecule
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 1-ethyl-4-propylbenzene is available in chemical structure page of 1-ethyl-4-propylbenzene, 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 1-ethyl-4-propylbenzene is available in molecular weight page of 1-ethyl-4-propylbenzene, 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 1-ethyl-4-propylbenzene is given in chemical formula page of 1-ethyl-4-propylbenzene, 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 1-ethyl-4-propylbenzene
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 1-ethyl-4-propylbenzene is:
It can provide a standard way to encode the molecular information of 1-ethyl-4-propylbenzene 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 1-ethyl-4-propylbenzene is:
The InChIKey may allow easier web searches for 1-ethyl-4-propylbenzene, but it needs to be linked to the full InChI to get back to the original structure of the 1-ethyl-4-propylbenzene since the full standard InChI cannot be reconstructed from the InChIKey.
Other names (synonyms) or registry numbers of 1-ethyl-4-propylbenzene
The 1-ethyl-4-propylbenzene compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 1-ethyl-4-propylbenzene including the registry numbers are listed below, if available:
- Benzene, 1-ethyl-4-propyl-
- Benzene, ethylpropyl-
1-ethyl-4-propylbenzene Identification Summary Frequently Asked Questions (FAQs)
|What’s the 1-ethyl-4-propylbenzene formula?|
|How many atoms and what elements are included in the 1-ethyl-4-propylbenzene molecule?|
|27 atom(s) – 16 Hydrogen atom(s) and 11 Carbon atom(s)|
|How many chemical bonds and what kind of bonds are in the 1-ethyl-4-propylbenzene structure?|
|27 bond(s) – 11 non-H bond(s), 6 multiple bond(s), 3 rotatable bond(s), 6 aromatic bond(s) and 1 six-membered ring(s)|
|What’s the 1-ethyl-4-propylbenzene’s molar mass?|
|What’s the SMILES structure of 1-ethyl-4-propylbenzene?|
|What’s the InChI code of 1-ethyl-4-propylbenzene?|
|What’s the InChIKey format of 1-ethyl-4-propylbenzene?|