SDF/Mol File of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol (C10H20O)
Identification of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol Chemical Compound
Chemical Formula | C10H20O |
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Molecular Weight | 156.2652 g/mol |
IUPAC Name | [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol |
SMILES String | CCC1CCCCC1(C)CO |
InChI | InChI=1S/C10H20O/c1-3-9-6-4-5-7-10(9,2)8-11/h9,11H,3-8H2,1-2H3/t9-,10+/m1/s1 |
InChIKey | UDSQOBFIKOBEHZ-ZJUUUORDSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol 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.
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Additional Information for Identifying [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol Molecule
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Chemical structure of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol is available in chemical structure page of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol
The molecular weight of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol is available in molecular weight page of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol
The chemical formula of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol is given in chemical formula page of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol
An alternative way of expressing structural information in text format is InChI. The full standard InChI of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol is:
InChI=1S/C10H20O/c1-3-9-6-4-5-7-10(9,2)8-11/h9,11H,3-8H2,1-2H3/t9-,10+/m1/s1
It can provide a standard way to encode the molecular information of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol 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 [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol is:
InChIKey=UDSQOBFIKOBEHZ-ZJUUUORDSA-N
The InChIKey may allow easier web searches for [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol, but it needs to be linked to the full InChI to get back to the original structure of the [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol
The [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol including the registry numbers are listed below, if available:
None available.
[(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol Identification Summary Frequently Asked Questions (FAQs)
What’s the [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol formula? |
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C10H20O |
How many atoms and what elements are included in the [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol molecule? |
31 atom(s) - 20 Hydrogen atom(s), 10 Carbon atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are in the [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol structure? |
31 bond(s) - 11 non-H bond(s), 2 rotatable bond(s), 1 six-membered ring(s), 1 hydroxyl group(s), and 1 primary alcohol(s) |
What’s the [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol’s molar mass? |
156.2652 g/mol |
What’s the SMILES structure of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol? |
CCC1CCCCC1(C)CO |
What’s the InChI code of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol? |
InChI=1S/C10H20O/c1-3-9-6-4-5-7-10(9,2)8-11/h9,11H,3-8H2,1-2H3/t9-,10+/m1/s1 |
What’s the InChIKey format of [(1R,2R)-2-ethyl-1-methylcyclohexyl]methanol? |
UDSQOBFIKOBEHZ-ZJUUUORDSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).