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Structure & Deep Data of ETHANE (C2H6)

Identification of ETHANE Chemical Compound

2D chemical structure image of ETHANE
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

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The ETHANE molecule contains a total of 7 bond(s). There are 1 non-H bond(s). Images of the chemical structure of ETHANE are given below:

2D chemical structure image of ETHANE
2-dimensional (2D) chemical structure image of ETHANE
3D chemical structure image of ETHANE
3-dimensional (3D) chemical structure image of ETHANE

The 2D chemical structure image of ETHANE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of ETHANE 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 ETHANE 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 ETHANE. Download structure data file (SDF/MOL) file of this compound.


chemical table area

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Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of ETHANE is provided here.

The ETHANE 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 ETHANE 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 ETHANE 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

Enter another compound to search for chemical structure:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

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

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying ETHANE Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of ETHANE

    The SMILES string of ETHANE is CC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the ETHANE.

  • Structure Data File (SDF/MOL File) of ETHANE

    The structure data file (SDF/MOL File) of ETHANE is available for download in the SDF page of ETHANE, which provides the information about the atoms, bonds, connectivity and coordinates of ETHANE. The ETHANE structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of ETHANE

    The molecular formula of ETHANE is available 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.

  • 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 weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

  • Other names (synonyms) or registry numbers of ETHANE

    The ETHANE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of ETHANE including the various registry numbers, 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 chemical formula of ETHANE?
C2H6
How many atoms and what are the elements included 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 included the ETHANE structure?
7 bond(s) - 1 non-H bond(s)
What’s the ETHANE’s molecular weight?
30.06904 g/mol
What’s the SMILES code of ETHANE?
CC
What’s the InChI string of ETHANE?
InChI=1S/C2H6/c1-2/h1-2H3
What’s the InChIKey code of ETHANE?
OTMSDBZUPAUEDD-UHFFFAOYSA-N

13351 The contents of this page can freely be shared if cited as follows:
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).

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