Structure & Deep Data of Ethyl 2-octenoate (C10H18O2)

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 2-octenoate molecule contains a total of 29 bond(s). There are 11 non-H bond(s), 2 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), and 1 ester(s) (aliphatic). Images of the chemical structure of Ethyl 2-octenoate are given below:

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

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Additional Information for Identifying Ethyl 2-octenoate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Ethyl 2-octenoate

  The SMILES string of Ethyl 2-octenoate is CCCCCC=CC(=O)OCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Ethyl 2-octenoate.

• Structure Data File (SDF/MOL File) of Ethyl 2-octenoate

  The structure data file (SDF/MOL File) of Ethyl 2-octenoate is available for download in the SDF page of Ethyl 2-octenoate, which provides the information about the atoms, bonds, connectivity and coordinates of Ethyl 2-octenoate. The Ethyl 2-octenoate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Ethyl 2-octenoate

  The molecular formula of Ethyl 2-octenoate is available in chemical formula page of Ethyl 2-octenoate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Ethyl 2-octenoate

  The molecular weight of Ethyl 2-octenoate is available in molecular weight page of Ethyl 2-octenoate, 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 2-octenoate

  The Ethyl 2-octenoate 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 2-octenoate including the various registry numbers, if available:

  • Ethyl (E)-oct-2-enoate
  • FEMA No. 3643
  • Ethyl 2-octenoate, trans-
  • Ethyl 2-octenoate, (E)-
  • Ethyl (E)-2-octenoate
  • ETHYL (TRANS)-2-OCTENOATE
  • 2-Octenoic acid, ethyl ester, (E)-
  • Ethyl 2-octenoate
  • 2-Octenoic acid, ethyl ester
  • trans-2-Octenoic acid ethyl ester

  • 2351-90-8
  • 7367-82-0
  • oct-2-enoic acid ethyl ester
  • (E)-oct-2-enoic acid ethyl ester
  • Ethyl oct-2-enoate
  • Ethyl-trans-2-octenoate

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Ethyl 2-octenoate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Ethyl 2-octenoate?
C10H18O2
How many atoms and what are the elements included the Ethyl 2-octenoate molecule?
30 atom(s) - 18 Hydrogen atom(s), 10 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Ethyl 2-octenoate structure?
29 bond(s) - 11 non-H bond(s), 2 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), and 1 ester(s) (aliphatic)
What’s the Ethyl 2-octenoate’s molecular weight?
170.24872 g/mol
What’s the SMILES code of Ethyl 2-octenoate?
CCCCCC=CC(=O)OCC
What’s the InChI string of Ethyl 2-octenoate?
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8+
What’s the InChIKey code of Ethyl 2-octenoate?
AISZSTYLOVXFII-CMDGGOBGSA-N

83 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).