Download Structure Data File(SDF/Mol File) of 3-Ethyl-2,2,3-trimethylpentane (C10H22)
Identification of 3-Ethyl-2,2,3-trimethylpentane Chemical Compound
|Molecular Weight||142.28168 g/mol|
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 3-Ethyl-2,2,3-trimethylpentane 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-Ethyl-2,2,3-trimethylpentane 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-Ethyl-2,2,3-trimethylpentane Molecule
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 3-Ethyl-2,2,3-trimethylpentane is available in chemical structure page of 3-Ethyl-2,2,3-trimethylpentane, 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-Ethyl-2,2,3-trimethylpentane is available in molecular weight page of 3-Ethyl-2,2,3-trimethylpentane, 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-Ethyl-2,2,3-trimethylpentane is given in chemical formula page of 3-Ethyl-2,2,3-trimethylpentane, 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-Ethyl-2,2,3-trimethylpentane
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 3-Ethyl-2,2,3-trimethylpentane is:
It can provide a standard way to encode the molecular information of 3-Ethyl-2,2,3-trimethylpentane 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-Ethyl-2,2,3-trimethylpentane is:
The InChIKey may allow easier web searches for 3-Ethyl-2,2,3-trimethylpentane, but it needs to be linked to the full InChI to get back to the original structure of the 3-Ethyl-2,2,3-trimethylpentane since the full standard InChI cannot be reconstructed from the InChIKey.
Other names (synonyms) or registry numbers of 3-Ethyl-2,2,3-trimethylpentane
The 3-Ethyl-2,2,3-trimethylpentane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 3-Ethyl-2,2,3-trimethylpentane including the registry numbers are listed below, if available:
- Pentane, 3-ethyl-2,2,3-trimethyl-
3-Ethyl-2,2,3-trimethylpentane Identification Summary Frequently Asked Questions (FAQs)
What’s the 3-Ethyl-2,2,3-trimethylpentane formula?C10H22
How many atoms and what elements are included in the 3-Ethyl-2,2,3-trimethylpentane 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 3-Ethyl-2,2,3-trimethylpentane structure?31 bond(s) – 9 non-H bond(s) and 3 rotatable bond(s)
What’s the 3-Ethyl-2,2,3-trimethylpentane’s molar mass?142.28168 g/mol
What’s the SMILES structure of 3-Ethyl-2,2,3-trimethylpentane?CCC(C)(CC)C(C)(C)C
What’s the InChI code of 3-Ethyl-2,2,3-trimethylpentane?InChI=1S/C10H22/c1-7-10(6,8-2)9(3,4)5/h7-8H2,1-6H3
What’s the InChIKey format of 3-Ethyl-2,2,3-trimethylpentane?AJDIFHIHSYVDGP-UHFFFAOYSA-N