Structure & Deep Data of Propyl propanoate (C6H10O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The propyl propanoate molecule contains a total of 19 bond(s). There are 7 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), and 1 ester(s) (aliphatic). Images of the chemical structure of propyl propanoate are given below:

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

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Additional Information for Identifying Propyl propanoate Molecule

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

  The SMILES string of propyl propanoate is [CH]CCOC(=O)CC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the propyl propanoate.

• Structure Data File (SDF/MOL File) of propyl propanoate

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

• Chemical formula of propyl propanoate

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

• Molecular weight of propyl propanoate

  The molecular weight of propyl propanoate is available in molecular weight page of propyl propanoate, 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 propyl propanoate

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

  
  
  None available.

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Propyl propanoate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of propyl propanoate?
C6H10O2
How many atoms and what are the elements included the propyl propanoate molecule?
20 atom(s) - 12 Hydrogen atom(s), 6 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the propyl propanoate structure?
19 bond(s) - 7 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), and 1 ester(s) (aliphatic)
What’s the propyl propanoate’s molecular weight?
114.1424 g/mol
What’s the SMILES code of propyl propanoate?
[CH]CCOC(=O)CC
What’s the InChI string of propyl propanoate?
InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h1H,3-5H2,2H3
What’s the InChIKey code of propyl propanoate?
IWHSHEBLRGIIFV-UHFFFAOYSA-N

1121 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).