Structure & Deep Data of 1-Methoxycyclooctene (C9H16O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1-Methoxycyclooctene molecule contains a total of 26 bond(s). There are 10 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 eight-membered ring(s), and 1 ether(s) (aliphatic). Images of the chemical structure of 1-Methoxycyclooctene are given below:

The 2D chemical structure image of 1-Methoxycyclooctene is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1-Methoxycyclooctene 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 1-Methoxycyclooctene 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 1-Methoxycyclooctene. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 1-Methoxycyclooctene Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 1-Methoxycyclooctene

  The SMILES string of 1-Methoxycyclooctene is COC1=CCCCCCC1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1-Methoxycyclooctene.

• Structure Data File (SDF/MOL File) of 1-Methoxycyclooctene

  The structure data file (SDF/MOL File) of 1-Methoxycyclooctene is available for download in the SDF page of 1-Methoxycyclooctene, which provides the information about the atoms, bonds, connectivity and coordinates of 1-Methoxycyclooctene. The 1-Methoxycyclooctene structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 1-Methoxycyclooctene

  The molecular formula of 1-Methoxycyclooctene is available in chemical formula page of 1-Methoxycyclooctene, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 1-Methoxycyclooctene

  The molecular weight of 1-Methoxycyclooctene is available in molecular weight page of 1-Methoxycyclooctene, 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 1-Methoxycyclooctene

  The 1-Methoxycyclooctene compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1-Methoxycyclooctene including the various registry numbers, if available:

  • MFCD00229876
  • (1E)-1-methoxy-cyclooctene
  • 1-methoxycyclooct-1-ene
  • 50438-51-2
  • 1-Methoxycyclooctene

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1-Methoxycyclooctene Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-Methoxycyclooctene?
C9H16O
How many atoms and what are the elements included the 1-Methoxycyclooctene molecule?
26 atom(s) - 16 Hydrogen atom(s), 9 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 1-Methoxycyclooctene structure?
26 bond(s) - 10 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 eight-membered ring(s), and 1 ether(s) (aliphatic)
What’s the 1-Methoxycyclooctene’s molecular weight?
140.22274 g/mol
What’s the SMILES code of 1-Methoxycyclooctene?
COC1=CCCCCCC1
What’s the InChI string of 1-Methoxycyclooctene?
InChI=1S/C9H16O/c1-10-9-7-5-3-2-4-6-8-9/h7H,2-6,8H2,1H3/b9-7+
What’s the InChIKey code of 1-Methoxycyclooctene?
LACILBBCPMXTKX-VQHVLOKHSA-N

14 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).