Structure & Deep Data of Tos-PEG4-t-butyl ester (C20H32O8S)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Tos-PEG4-t-butyl ester molecule contains a total of 61 bond(s). There are 29 non-H bond(s), 9 multiple bond(s), 16 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 3 ether(s) (aliphatic), and 1 sulfonate(s) (thio-/dithio-). Images of the chemical structure of Tos-PEG4-t-butyl ester are given below:

The 2D chemical structure image of Tos-PEG4-t-butyl ester is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Tos-PEG4-t-butyl ester 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 Tos-PEG4-t-butyl ester 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 Tos-PEG4-t-butyl ester. Download structure data file (SDF/MOL) file of this compound.

---

Search Another Chemical Structure

Enter another compound to search for chemical structure:

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 Tos-PEG4-t-butyl ester Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Tos-PEG4-t-butyl ester

  The SMILES string of Tos-PEG4-t-butyl ester is Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCC(=O)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 Tos-PEG4-t-butyl ester.

• Structure Data File (SDF/MOL File) of Tos-PEG4-t-butyl ester

  The structure data file (SDF/MOL File) of Tos-PEG4-t-butyl ester is available for download in the SDF page of Tos-PEG4-t-butyl ester, which provides the information about the atoms, bonds, connectivity and coordinates of Tos-PEG4-t-butyl ester. The Tos-PEG4-t-butyl ester structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Tos-PEG4-t-butyl ester

  The molecular formula of Tos-PEG4-t-butyl ester is available in chemical formula page of Tos-PEG4-t-butyl ester, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Tos-PEG4-t-butyl ester

  The molecular weight of Tos-PEG4-t-butyl ester is available in molecular weight page of Tos-PEG4-t-butyl ester, 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 Tos-PEG4-t-butyl ester

  The Tos-PEG4-t-butyl ester compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Tos-PEG4-t-butyl ester including the various registry numbers, if available:

  • tert-butyl 3-(2-(2-(2-(tosyloxy)ethoxy)ethoxy)ethoxy)propanoate
  • BIPG1863
  • Tos-PEG4-t-butyl ester

---

Tos-PEG4-t-butyl ester Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Tos-PEG4-t-butyl ester?
C20H32O8S
How many atoms and what are the elements included the Tos-PEG4-t-butyl ester molecule?
61 atom(s) - 32 Hydrogen atom(s), 20 Carbon atom(s), 8 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the Tos-PEG4-t-butyl ester structure?
61 bond(s) - 29 non-H bond(s), 9 multiple bond(s), 16 rotatable bond(s), 3 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 3 ether(s) (aliphatic), and 1 sulfonate(s) (thio-/dithio-)
What’s the Tos-PEG4-t-butyl ester’s molecular weight?
432.52828 g/mol
What’s the SMILES code of Tos-PEG4-t-butyl ester?
Cc1ccc(cc1)S(=O)(=O)OCCOCCOCCOCCC(=O)OC(C)(C)C
What’s the InChI string of Tos-PEG4-t-butyl ester?
InChI=1S/C20H32O8S/c1-17-5-7-18(8-6-17)29(22,23)27-16-15-26-14-13-25-12-11-24-10-9-19(21)28-20(2,3)4/h5-8H,9-16H2,1-4H3
What’s the InChIKey code of Tos-PEG4-t-butyl ester?
AAQWIVKRAHBPDM-UHFFFAOYSA-N

38 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).