Download Structure Data File(SDF/Mol File) of 5-Methyl-5-nonanol (C10H22O)
Identification of 5-Methyl-5-nonanol Chemical Compound
|Molecular Weight||158.28108 g/mol|
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 5-Methyl-5-nonanol 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 5-Methyl-5-nonanol 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 5-Methyl-5-nonanol Molecule
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 5-Methyl-5-nonanol is available in chemical structure page of 5-Methyl-5-nonanol, 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 5-Methyl-5-nonanol is available in molecular weight page of 5-Methyl-5-nonanol, 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 5-Methyl-5-nonanol is given in chemical formula page of 5-Methyl-5-nonanol, 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 5-Methyl-5-nonanol
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 5-Methyl-5-nonanol is:
It can provide a standard way to encode the molecular information of 5-Methyl-5-nonanol 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 5-Methyl-5-nonanol is:
The InChIKey may allow easier web searches for 5-Methyl-5-nonanol, but it needs to be linked to the full InChI to get back to the original structure of the 5-Methyl-5-nonanol since the full standard InChI cannot be reconstructed from the InChIKey.
Other names (synonyms) or registry numbers of 5-Methyl-5-nonanol
The 5-Methyl-5-nonanol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 5-Methyl-5-nonanol including the registry numbers are listed below, if available:
- 5-Nonanol, 5-methyl-
- DI-n-BUTYL METHYL CARBINOL
5-Methyl-5-nonanol Identification Summary Frequently Asked Questions (FAQs)
What’s the 5-Methyl-5-nonanol formula?C10H22O
How many atoms and what elements are included in the 5-Methyl-5-nonanol molecule?33 atom(s) – 22 Hydrogen atom(s), 10 Carbon atom(s) and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the 5-Methyl-5-nonanol structure?32 bond(s) – 10 non-H bond(s), 6 rotatable bond(s), 1 hydroxyl group(s) and 1 tertiary alcohol(s)
What’s the 5-Methyl-5-nonanol’s molar mass?158.28108 g/mol
What’s the SMILES structure of 5-Methyl-5-nonanol?CCCCC(C)(O)CCCC
What’s the InChI code of 5-Methyl-5-nonanol?InChI=1S/C10H22O/c1-4-6-8-10(3,11)9-7-5-2/h11H,4-9H2,1-3H3
What’s the InChIKey format of 5-Methyl-5-nonanol?AGSIGVZAVLOKLP-UHFFFAOYSA-N