Download Structure Data File(SDF/Mol File) of 3,3-DIMETHYLPENTANE (C7H16)
Identification of 3,3-DIMETHYLPENTANE Chemical Compound
|Molecular Weight||100.20194 g/mol|
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 3,3-DIMETHYLPENTANE 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 3,3-DIMETHYLPENTANE 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 3,3-DIMETHYLPENTANE Molecule
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 3,3-DIMETHYLPENTANE is available in chemical structure page of 3,3-DIMETHYLPENTANE, 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 3,3-DIMETHYLPENTANE is available in molecular weight page of 3,3-DIMETHYLPENTANE, 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 3,3-DIMETHYLPENTANE is given in chemical formula page of 3,3-DIMETHYLPENTANE, 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 3,3-DIMETHYLPENTANE
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 3,3-DIMETHYLPENTANE is:
It can provide a standard way to encode the molecular information of 3,3-DIMETHYLPENTANE 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 3,3-DIMETHYLPENTANE is:
The InChIKey may allow easier web searches for 3,3-DIMETHYLPENTANE, but it needs to be linked to the full InChI to get back to the original structure of the 3,3-DIMETHYLPENTANE since the full standard InChI cannot be reconstructed from the InChIKey.
Other names (synonyms) or registry numbers of 3,3-DIMETHYLPENTANE
The 3,3-DIMETHYLPENTANE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 3,3-DIMETHYLPENTANE including the registry numbers are listed below, if available:
- Pentane, 3,3-dimethyl-
- 3,3-Dimethylpentane, 99%
3,3-DIMETHYLPENTANE Identification Summary Frequently Asked Questions (FAQs)
What’s the 3,3-DIMETHYLPENTANE formula?C7H16
How many atoms and what elements are included in the 3,3-DIMETHYLPENTANE molecule?23 atom(s) – 16 Hydrogen atom(s) and 7 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the 3,3-DIMETHYLPENTANE structure?22 bond(s) – 6 non-H bond(s) and 2 rotatable bond(s)
What’s the 3,3-DIMETHYLPENTANE’s molar mass?100.20194 g/mol
What’s the SMILES structure of 3,3-DIMETHYLPENTANE?CCC(C)(C)CC
What’s the InChI code of 3,3-DIMETHYLPENTANE?InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3
What’s the InChIKey format of 3,3-DIMETHYLPENTANE?AEXMKKGTQYQZCS-UHFFFAOYSA-N