Download Structure Data File(SDF/Mol File) of 4-Propylheptane (C10H22)
Identification of 4-Propylheptane Chemical Compound
|Molecular Weight||142.28168 g/mol|
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 4-Propylheptane 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 4-Propylheptane 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 4-Propylheptane Molecule
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 4-Propylheptane is available in chemical structure page of 4-Propylheptane, 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 4-Propylheptane is available in molecular weight page of 4-Propylheptane, 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 4-Propylheptane is given in chemical formula page of 4-Propylheptane, 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 4-Propylheptane
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 4-Propylheptane is:
It can provide a standard way to encode the molecular information of 4-Propylheptane 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 4-Propylheptane is:
The InChIKey may allow easier web searches for 4-Propylheptane, but it needs to be linked to the full InChI to get back to the original structure of the 4-Propylheptane since the full standard InChI cannot be reconstructed from the InChIKey.
Other names (synonyms) or registry numbers of 4-Propylheptane
The 4-Propylheptane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 4-Propylheptane including the registry numbers are listed below, if available:
- Heptane, 4-propyl-
4-Propylheptane Identification Summary Frequently Asked Questions (FAQs)
What’s the 4-Propylheptane formula?C10H22
How many atoms and what elements are included in the 4-Propylheptane molecule?32 atom(s) – 22 Hydrogen atom(s) and 10 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the 4-Propylheptane structure?31 bond(s) – 9 non-H bond(s) and 6 rotatable bond(s)
What’s the 4-Propylheptane’s molar mass?142.28168 g/mol
What’s the SMILES structure of 4-Propylheptane?CCCC(CCC)CCC
What’s the InChI code of 4-Propylheptane?InChI=1S/C10H22/c1-4-7-10(8-5-2)9-6-3/h10H,4-9H2,1-3H3
What’s the InChIKey format of 4-Propylheptane?ABYGSZMCWVXFCQ-UHFFFAOYSA-N