Structure & Deep Data of BUTANE (C4H10)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The BUTANE molecule contains a total of 13 bond(s). There are 3 non-H bond(s) and 1 rotatable bond(s). Images of the chemical structure of BUTANE are given below:

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

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Additional Information for Identifying BUTANE Molecule

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

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

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

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

• Chemical formula of BUTANE

  The molecular formula of BUTANE is available in chemical formula page of BUTANE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of BUTANE

  The molecular weight of BUTANE is available in molecular weight page of BUTANE, 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 BUTANE

  The BUTANE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of BUTANE including the various registry numbers, if available:

  • butyl
  • SBU
  • 68551-21-3
  • 06005800-A997-4214-BF1C-5063E9E46167
  • Butane, fuel for Micro Torch, contains no CFC gases
  • Butane or butane mixtures [UN1011] [Flammable gas]
  • Butane or butane mixtures [UN1011] [Flammable gas]
  • I14-9541
  • D03186
  • R-600

  • B0677
  • 68514-31-8
  • 68476-42-6
  • UN 1011
  • MFCD00009424
  • PROPYL, 1-METHYL- (9CI)
  • E-943a
  • E 943a
  • Jsp000618
  • Mixed (C1-C4) hydrocarbons from crude distillation

  • Mixed (C1-C4) hydrocarbons from thermal cracking
  • Mixed (C1-C4) gases from polymerization process
  • 6LV4FOR43R
  • Butane or butane mixtures
  • Freon 600
  • Butane, 99%
  • Butane-propane mixture
  • 1,2-dimethyl-ethane
  • Butane (NF)
  • 1,2-dimethylethane

  • n-Butane(Fine)
  • Sec-Butyl Group
  • n-Butan
  • Mixed (C1-C4) hydrocarbons from absorber
  • Hydrocarbons, C4-5
  • Hydrocarbons, C1-4
  • Butane [USAN]
  • NBU
  • 68527-17-3
  • n-C4H10

  • E943a
  • R 600
  • A 21
  • HC 600
  • Butyl Group
  • A 21 (lowing agent)
  • HC 600 (hydrocarbon)
  • Butani [Italian]
  • R 600 (alkane)
  • Butanen [Dutch]

  • Butane, pure
  • Butyl hydride
  • Butani
  • Butanen
  • butan
  • Methylethylmethane
  • 106-97-8
  • Diethyl
  • n-Butane

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BUTANE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of BUTANE?
C4H10
How many atoms and what are the elements included the BUTANE molecule?
14 atom(s) - 10 Hydrogen atom(s) and 4 Carbon atom(s)
How many chemical bonds and what kind of bonds are included the BUTANE structure?
13 bond(s) - 3 non-H bond(s) and 1 rotatable bond(s)
What’s the BUTANE’s molecular weight?
58.1222 g/mol
What’s the SMILES code of BUTANE?
CCCC
What’s the InChI string of BUTANE?
InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
What’s the InChIKey code of BUTANE?
IJDNQMDRQITEOD-UHFFFAOYSA-N

9459 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).