Structure & Deep Data of Tert-Butyl isopropyl ether (C7H16O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The tert-Butyl isopropyl ether molecule contains a total of 23 bond(s). There are 7 non-H bond(s), 2 rotatable bond(s), and 1 ether(s) (aliphatic). Images of the chemical structure of tert-Butyl isopropyl ether are given below:

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

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Additional Information for Identifying Tert-Butyl isopropyl ether Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of tert-Butyl isopropyl ether

  The SMILES string of tert-Butyl isopropyl ether is CC(C)OC(C)(C)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the tert-Butyl isopropyl ether.

• Structure Data File (SDF/MOL File) of tert-Butyl isopropyl ether

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

• Chemical formula of tert-Butyl isopropyl ether

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

• Molecular weight of tert-Butyl isopropyl ether

  The molecular weight of tert-Butyl isopropyl ether is available in molecular weight page of tert-Butyl isopropyl ether, 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 tert-Butyl isopropyl ether

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

  • Propane,2-methyl-2-(1-methylethoxy)-
  • 2-methyl-2-propan-2-yloxypropane
  • (i-C3H7)O(t-C4H9)
  • tert-butylisopropyl ether
  • Ether, tert-butyl isopropyl (6CI,7CI,8CI)
  • Ether, tert-butyl isopropyl
  • 2-Methyl-2-(1-methylethoxy)propane
  • Propane, 2-methyl-2-(1-methylethoxy)-
  • 2-Isopropoxy-2-methylpropane
  • 17348-59-3

  • Isopropyl tert-butyl ether
  • tert-Butyl isopropyl ether

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Tert-Butyl isopropyl ether Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of tert-Butyl isopropyl ether?
C7H16O
How many atoms and what are the elements included the tert-Butyl isopropyl ether molecule?
24 atom(s) - 16 Hydrogen atom(s), 7 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the tert-Butyl isopropyl ether structure?
23 bond(s) - 7 non-H bond(s), 2 rotatable bond(s), and 1 ether(s) (aliphatic)
What’s the tert-Butyl isopropyl ether’s molecular weight?
116.20134 g/mol
What’s the SMILES code of tert-Butyl isopropyl ether?
CC(C)OC(C)(C)C
What’s the InChI string of tert-Butyl isopropyl ether?
InChI=1S/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3
What’s the InChIKey code of tert-Butyl isopropyl ether?
HNFSPSWQNZVCTB-UHFFFAOYSA-N

506 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).