Structure of 5-methyl-1,2-hexanediol (C7H16O2)
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Chemical Formula | C7H16O2 |
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Molecular Weight | 132.20074 g/mol |
IUPAC Name | 5-methylhexane-1,2-diol |
SMILES String | CC(C)CCC(O)CO |
InChI | InChI=1S/C7H16O2/c1-6(2)3-4-7(9)5-8/h6-9H,3-5H2,1-2H3 |
InChIKey | PTXXRZSKRORMHV-UHFFFAOYSA-N |
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Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 5-methyl-1,2-hexanediol molecule contains a total of 24 bond(s). There are 8 non-H bond(s), 4 rotatable bond(s), 2 hydroxyl group(s), 1 primary alcohol(s), and 1 secondary alcohol(s). Images of the chemical structure of 5-methyl-1,2-hexanediol are given below:
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
The 2D chemical structure image of 5-methyl-1,2-hexanediol is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 5-methyl-1,2-hexanediol are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of 5-methyl-1,2-hexanediol is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 5-methyl-1,2-hexanediol. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of 5-methyl-1,2-hexanediol is provided here.
The 5-methyl-1,2-hexanediol molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 5-methyl-1,2-hexanediol molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 5-methyl-1,2-hexanediol can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
Search Another Chemical Structure
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying 5-methyl-1,2-hexanediol Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 5-methyl-1,2-hexanediol
The SMILES string of 5-methyl-1,2-hexanediol is CC(C)CCC(O)CO, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 5-methyl-1,2-hexanediol.
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Structure Data File (SDF/MOL File) of 5-methyl-1,2-hexanediol
The structure data file (SDF/MOL File) of 5-methyl-1,2-hexanediol is available for download in the SDF page of 5-methyl-1,2-hexanediol, which provides the information about the atoms, bonds, connectivity and coordinates of 5-methyl-1,2-hexanediol. The 5-methyl-1,2-hexanediol structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 5-methyl-1,2-hexanediol
The molecular formula of 5-methyl-1,2-hexanediol is available in chemical formula page of 5-methyl-1,2-hexanediol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of 5-methyl-1,2-hexanediol
The molecular weight of 5-methyl-1,2-hexanediol is available in molecular weight page of 5-methyl-1,2-hexanediol, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of 5-methyl-1,2-hexanediol
The 5-methyl-1,2-hexanediol compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 5-methyl-1,2-hexanediol including the various registry numbers, if available:
- 5-methyl-1,2-hexanediol
5-methyl-1,2-hexanediol Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 5-methyl-1,2-hexanediol? |
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C7H16O2 |
How many atoms and what are the elements included the 5-methyl-1,2-hexanediol molecule? |
25 atom(s) - 16 Hydrogen atom(s), 7 Carbon atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the 5-methyl-1,2-hexanediol structure? |
24 bond(s) - 8 non-H bond(s), 4 rotatable bond(s), 2 hydroxyl group(s), 1 primary alcohol(s), and 1 secondary alcohol(s) |
What’s the 5-methyl-1,2-hexanediol’s molecular weight? |
132.20074 g/mol |
What’s the SMILES code of 5-methyl-1,2-hexanediol? |
CC(C)CCC(O)CO |
What’s the InChI string of 5-methyl-1,2-hexanediol? |
InChI=1S/C7H16O2/c1-6(2)3-4-7(9)5-8/h6-9H,3-5H2,1-2H3 |
What’s the InChIKey code of 5-methyl-1,2-hexanediol? |
PTXXRZSKRORMHV-UHFFFAOYSA-N |