SDF/Mol File of ETHANE (C2H6)
Identification of ETHANE Chemical Compound
Chemical Formula | C2H6 |
---|---|
Molecular Weight | 30.06904 g/mol |
IUPAC Name | ethane |
SMILES String | CC |
InChI | InChI=1S/C2H6/c1-2/h1-2H3 |
InChIKey | OTMSDBZUPAUEDD-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of ETHANE 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 ETHANE 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.
chemical table area
Search Another SDF·MOL File
Enter another compound to search for SDF·MOL file:
Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying ETHANE Molecule
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Chemical structure of ETHANE
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of ETHANE is available in chemical structure page of ETHANE, 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 ETHANE
The molecular weight of ETHANE is available in molecular weight page of ETHANE, 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 ETHANE
The chemical formula of ETHANE is given in chemical formula page of ETHANE, 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 ETHANE
An alternative way of expressing structural information in text format is InChI. The full standard InChI of ETHANE is:
InChI=1S/C2H6/c1-2/h1-2H3
It can provide a standard way to encode the molecular information of ETHANE 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 ETHANE is:
InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N
The InChIKey may allow easier web searches for ETHANE, but it needs to be linked to the full InChI to get back to the original structure of the ETHANE since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of ETHANE
The ETHANE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of ETHANE including the registry numbers are listed below, if available:
- AR-1I7307
- EHN
- Ethane, refrigerated liquid [UN1961] [Flammable gas]
- Ethane, refrigerated liquid [UN1961] [Flammable gas]
- B89E451F-F83E-471B-8B27-36FC23EF5CA1
- I14-54140
- S-6468
- R-170
- Ethane, Messer(R) CANGas, 99.95%
- UN 1961
- UN 1035
- Ethane [UN1035] [Flammable gas]
- MFCD00009023
- Ethane [UN1035] [Flammable gas]
- 1,1,1,2,2,2-Ethanehexaylradical
- Ethane, >=99.95% (GC)
- L99N5N533T
- CH3-CH3
- CH3-CH2
- Ethane, refrigerated liquid
- Ethane, 99.99%
- Ethane, >=99%
- Ethylidyne radical
- Liquid overheads
- Aethan
- Alkanes, C2-3
- OET
- Ethyl Group
- C2H6
- Ethan
- 74-84-0
- Ethyl hydride
- Methylmethane
- Dimethyl
- Bimethyl
- 68475-58-1
ETHANE Identification Summary Frequently Asked Questions (FAQs)
What’s the ETHANE formula? |
---|
C2H6 |
How many atoms and what elements are included in the ETHANE molecule? |
8 atom(s) - 6 Hydrogen atom(s) and 2 Carbon atom(s) |
How many chemical bonds and what kind of bonds are in the ETHANE structure? |
7 bond(s) - 1 non-H bond(s) |
What’s the ETHANE’s molar mass? |
30.06904 g/mol |
What’s the SMILES structure of ETHANE? |
CC |
What’s the InChI code of ETHANE? |
InChI=1S/C2H6/c1-2/h1-2H3 |
What’s the InChIKey format of ETHANE? |
OTMSDBZUPAUEDD-UHFFFAOYSA-N |
2880
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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).