Structure & Deep Data of PEG3-bis-(ethyl phosphonate) (C16H36O9P2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The PEG3-bis-(ethyl phosphonate) molecule contains a total of 62 bond(s). There are 26 non-H bond(s), 2 multiple bond(s), 20 rotatable bond(s), 2 double bond(s), 3 ether(s) (aliphatic), and 2 phosphonate(s) (thio-). Images of the chemical structure of PEG3-bis-(ethyl phosphonate) are given below:

The 2D chemical structure image of PEG3-bis-(ethyl phosphonate) is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of PEG3-bis-(ethyl phosphonate) 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 PEG3-bis-(ethyl phosphonate) 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 PEG3-bis-(ethyl phosphonate). Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying PEG3-bis-(ethyl phosphonate) Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of PEG3-bis-(ethyl phosphonate)

  The SMILES string of PEG3-bis-(ethyl phosphonate) is CCOP(=O)(CCOCCOCCOCCP(=O)(OCC)OCC)OCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the PEG3-bis-(ethyl phosphonate).

• Structure Data File (SDF/MOL File) of PEG3-bis-(ethyl phosphonate)

  The structure data file (SDF/MOL File) of PEG3-bis-(ethyl phosphonate) is available for download in the SDF page of PEG3-bis-(ethyl phosphonate), which provides the information about the atoms, bonds, connectivity and coordinates of PEG3-bis-(ethyl phosphonate). The PEG3-bis-(ethyl phosphonate) structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of PEG3-bis-(ethyl phosphonate)

  The molecular formula of PEG3-bis-(ethyl phosphonate) is available in chemical formula page of PEG3-bis-(ethyl phosphonate), which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of PEG3-bis-(ethyl phosphonate)

  The molecular weight of PEG3-bis-(ethyl phosphonate) is available in molecular weight page of PEG3-bis-(ethyl phosphonate), 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 PEG3-bis-(ethyl phosphonate)

  The PEG3-bis-(ethyl phosphonate) compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of PEG3-bis-(ethyl phosphonate) including the various registry numbers, if available:

  • 160625-24-1
  • Diethyl-[oxybis(2,1-ethanediyloxy-2,1-ethanediyl)]bis-phosphonate
  • MFCD00778113
  • PEG3-bis-(ethyl phosphonate)

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PEG3-bis-(ethyl phosphonate) Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of PEG3-bis-(ethyl phosphonate)?
C16H36O9P2
How many atoms and what are the elements included the PEG3-bis-(ethyl phosphonate) molecule?
63 atom(s) - 36 Hydrogen atom(s), 16 Carbon atom(s), 9 Oxygen atom(s), and 2 Phosphorous atom(s)
How many chemical bonds and what kind of bonds are included the PEG3-bis-(ethyl phosphonate) structure?
62 bond(s) - 26 non-H bond(s), 2 multiple bond(s), 20 rotatable bond(s), 2 double bond(s), 3 ether(s) (aliphatic), and 2 phosphonate(s) (thio-)
What’s the PEG3-bis-(ethyl phosphonate)’s molecular weight?
434.39916 g/mol
What’s the SMILES code of PEG3-bis-(ethyl phosphonate)?
CCOP(=O)(CCOCCOCCOCCP(=O)(OCC)OCC)OCC
What’s the InChI string of PEG3-bis-(ethyl phosphonate)?
InChI=1S/C16H36O9P2/c1-5-22-26(17,23-6-2)15-13-20-11-9-19-10-12-21-14-16-27(18,24-7-3)25-8-4/h5-16H2,1-4H3
What’s the InChIKey code of PEG3-bis-(ethyl phosphonate)?
ZWTMAYYRMOPOCM-UHFFFAOYSA-N

18 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).