Structure & Deep Data of Ethyl (3R)-3-(4-iodophenyl)butyl carbonate (C13H17IO3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The ethyl (3R)-3-(4-iodophenyl)butyl carbonate molecule contains a total of 34 bond(s). There are 17 non-H bond(s), 7 multiple bond(s), 7 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 carbonate (-thio) derivative(s). Images of the chemical structure of ethyl (3R)-3-(4-iodophenyl)butyl carbonate are given below:

The 2D chemical structure image of ethyl (3R)-3-(4-iodophenyl)butyl carbonate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of ethyl (3R)-3-(4-iodophenyl)butyl carbonate 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 ethyl (3R)-3-(4-iodophenyl)butyl carbonate 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 ethyl (3R)-3-(4-iodophenyl)butyl carbonate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Ethyl (3R)-3-(4-iodophenyl)butyl carbonate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of ethyl (3R)-3-(4-iodophenyl)butyl carbonate

  The SMILES string of ethyl (3R)-3-(4-iodophenyl)butyl carbonate is CCOC(=O)OCCC(C)c1ccc(I)cc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the ethyl (3R)-3-(4-iodophenyl)butyl carbonate.

• Structure Data File (SDF/MOL File) of ethyl (3R)-3-(4-iodophenyl)butyl carbonate

  The structure data file (SDF/MOL File) of ethyl (3R)-3-(4-iodophenyl)butyl carbonate is available for download in the SDF page of ethyl (3R)-3-(4-iodophenyl)butyl carbonate, which provides the information about the atoms, bonds, connectivity and coordinates of ethyl (3R)-3-(4-iodophenyl)butyl carbonate. The ethyl (3R)-3-(4-iodophenyl)butyl carbonate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of ethyl (3R)-3-(4-iodophenyl)butyl carbonate

  The molecular formula of ethyl (3R)-3-(4-iodophenyl)butyl carbonate is available in chemical formula page of ethyl (3R)-3-(4-iodophenyl)butyl carbonate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of ethyl (3R)-3-(4-iodophenyl)butyl carbonate

  The molecular weight of ethyl (3R)-3-(4-iodophenyl)butyl carbonate is available in molecular weight page of ethyl (3R)-3-(4-iodophenyl)butyl carbonate, 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 ethyl (3R)-3-(4-iodophenyl)butyl carbonate

  The ethyl (3R)-3-(4-iodophenyl)butyl carbonate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of ethyl (3R)-3-(4-iodophenyl)butyl carbonate including the various registry numbers, if available:

  
  
  None available.

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Ethyl (3R)-3-(4-iodophenyl)butyl carbonate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of ethyl (3R)-3-(4-iodophenyl)butyl carbonate?
C13H17IO3
How many atoms and what are the elements included the ethyl (3R)-3-(4-iodophenyl)butyl carbonate molecule?
34 atom(s) - 17 Hydrogen atom(s), 13 Carbon atom(s), 3 Oxygen atom(s), and 1 Iodine atom(s)
How many chemical bonds and what kind of bonds are included the ethyl (3R)-3-(4-iodophenyl)butyl carbonate structure?
34 bond(s) - 17 non-H bond(s), 7 multiple bond(s), 7 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 carbonate (-thio) derivative(s)
What’s the ethyl (3R)-3-(4-iodophenyl)butyl carbonate’s molecular weight?
348.17675 g/mol
What’s the SMILES code of ethyl (3R)-3-(4-iodophenyl)butyl carbonate?
CCOC(=O)OCCC(C)c1ccc(I)cc1
What’s the InChI string of ethyl (3R)-3-(4-iodophenyl)butyl carbonate?
InChI=1S/C13H17IO3/c1-3-16-13(15)17-9-8-10(2)11-4-6-12(14)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
What’s the InChIKey code of ethyl (3R)-3-(4-iodophenyl)butyl carbonate?
UYQNCKPINNKFCP-SNVBAGLBSA-N

71 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).