SDF/Mol File of 2-(2-isopropoxyethoxy)propane (C8H18O2)
Identification of 2-(2-isopropoxyethoxy)propane Chemical Compound
| Chemical Formula | C8H18O2 |
|---|---|
| Molecular Weight | 146.22732 g/mol |
| IUPAC Name | 2-[2-(propan-2-yloxy)ethoxy]propane |
| SMILES String | CC(C)OCCOC(C)C |
| InChI | InChI=1S/C8H18O2/c1-7(2)9-5-6-10-8(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey | MGZCLRWCEUBEGO-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 2-(2-isopropoxyethoxy)propane 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 2-(2-isopropoxyethoxy)propane 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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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 2-(2-isopropoxyethoxy)propane Molecule
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Chemical structure of 2-(2-isopropoxyethoxy)propane
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 2-(2-isopropoxyethoxy)propane is available in chemical structure page of 2-(2-isopropoxyethoxy)propane, 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 2-(2-isopropoxyethoxy)propane
The molecular weight of 2-(2-isopropoxyethoxy)propane is available in molecular weight page of 2-(2-isopropoxyethoxy)propane, 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 2-(2-isopropoxyethoxy)propane
The chemical formula of 2-(2-isopropoxyethoxy)propane is given in chemical formula page of 2-(2-isopropoxyethoxy)propane, 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 2-(2-isopropoxyethoxy)propane
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 2-(2-isopropoxyethoxy)propane is:
InChI=1S/C8H18O2/c1-7(2)9-5-6-10-8(3)4/h7-8H,5-6H2,1-4H3
It can provide a standard way to encode the molecular information of 2-(2-isopropoxyethoxy)propane 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-(2-isopropoxyethoxy)propane is:
InChIKey=MGZCLRWCEUBEGO-UHFFFAOYSA-N
The InChIKey may allow easier web searches for 2-(2-isopropoxyethoxy)propane, but it needs to be linked to the full InChI to get back to the original structure of the 2-(2-isopropoxyethoxy)propane since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 2-(2-isopropoxyethoxy)propane
The 2-(2-isopropoxyethoxy)propane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2-(2-isopropoxyethoxy)propane including the registry numbers are listed below, if available:
- AR-1C6817
- Propane, 2,2'-(1,2-ethanediylbis(oxy))bis-
- Propane,2,2'-[1,2-ethanediylbis(oxy)]bis-
- 1,2-Bis[(1-methylethyl)oxy]ethane
- 2-(2-propan-2-yloxyethoxy)propane
- 2,2'-[ETHYLENEBIS(OXY)]BISPROPANE
- 2,2'-(Ethylenebis(oxy))bispropane
- 3944-35-2
- 2-(2-isopropoxyethoxy)propane
2-(2-isopropoxyethoxy)propane Identification Summary Frequently Asked Questions (FAQs)
| What’s the 2-(2-isopropoxyethoxy)propane formula? |
|---|
| C8H18O2 |
| How many atoms and what elements are included in the 2-(2-isopropoxyethoxy)propane molecule? |
| 28 atom(s) - 18 Hydrogen atom(s), 8 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the 2-(2-isopropoxyethoxy)propane structure? |
| 27 bond(s) - 9 non-H bond(s), 5 rotatable bond(s), and 2 ether(s) (aliphatic) |
| What’s the 2-(2-isopropoxyethoxy)propane’s molar mass? |
| 146.22732 g/mol |
| What’s the SMILES structure of 2-(2-isopropoxyethoxy)propane? |
| CC(C)OCCOC(C)C |
| What’s the InChI code of 2-(2-isopropoxyethoxy)propane? |
| InChI=1S/C8H18O2/c1-7(2)9-5-6-10-8(3)4/h7-8H,5-6H2,1-4H3 |
| What’s the InChIKey format of 2-(2-isopropoxyethoxy)propane? |
| MGZCLRWCEUBEGO-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).