Download Structure Data File(SDF/Mol File) of 2-METHYLPENTANE (C6H14)
Identification of 2-METHYLPENTANE Chemical Compound
|Molecular Weight||86.17536 g/mol|
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 2-METHYLPENTANE 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 2-METHYLPENTANE 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 2-METHYLPENTANE Molecule
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 2-METHYLPENTANE is available in chemical structure page of 2-METHYLPENTANE, 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 2-METHYLPENTANE is available in molecular weight page of 2-METHYLPENTANE, 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 2-METHYLPENTANE is given in chemical formula page of 2-METHYLPENTANE, 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 2-METHYLPENTANE
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 2-METHYLPENTANE is:
It can provide a standard way to encode the molecular information of 2-METHYLPENTANE 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 2-METHYLPENTANE is:
The InChIKey may allow easier web searches for 2-METHYLPENTANE, but it needs to be linked to the full InChI to get back to the original structure of the 2-METHYLPENTANE since the full standard InChI cannot be reconstructed from the InChIKey.
Other names (synonyms) or registry numbers of 2-METHYLPENTANE
The 2-METHYLPENTANE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2-METHYLPENTANE including the registry numbers are listed below, if available:
- Pentane, 2-methyl-
- Methyl pentane
- 2-Methyl pentane
- 2-Methylpentane, analytical standard
- Pentane, methyl-
- Hexanes [FCC]
- 2-Methylpentane, 5.0%
- PENTYL, 4-METHYL-
- 2-Methylpentane, >=99%
- Hexanes, Environmental Grade
- Hexanes, (60% n-hexane)
- 2-Methylpentane, 99% 100ml
- PROPYL, 1-ETHYL-2-METHYL-
- 2-Methylpentane, >=95.0% (GC)
- Isohexanes (mixture of isomeric branched chain hexanes)
2-METHYLPENTANE Identification Summary Frequently Asked Questions (FAQs)
What’s the 2-METHYLPENTANE formula?C6H14
How many atoms and what elements are included in the 2-METHYLPENTANE molecule?20 atom(s) – 14 Hydrogen atom(s) and 6 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the 2-METHYLPENTANE structure?19 bond(s) – 5 non-H bond(s) and 2 rotatable bond(s)
What’s the 2-METHYLPENTANE’s molar mass?86.17536 g/mol
What’s the SMILES structure of 2-METHYLPENTANE?CCCC(C)C
What’s the InChI code of 2-METHYLPENTANE?InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
What’s the InChIKey format of 2-METHYLPENTANE?AFABGHUZZDYHJO-UHFFFAOYSA-N