Structure & Deep Data of Allyl methyl ether (C4H8O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Allyl methyl ether molecule contains a total of 12 bond(s). There are 4 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), and 1 ether(s) (aliphatic). Images of the chemical structure of Allyl methyl ether are given below:

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

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Additional Information for Identifying Allyl methyl ether Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Allyl methyl ether

  The SMILES string of Allyl methyl ether is COCC=C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Allyl methyl ether.

• Structure Data File (SDF/MOL File) of Allyl methyl ether

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

• Chemical formula of Allyl methyl ether

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

• Molecular weight of Allyl methyl ether

  The molecular weight of Allyl methyl ether is available in molecular weight page of Allyl methyl ether, 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 Allyl methyl ether

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

  • BBV-39685398
  • I14-49984
  • A833964
  • ANW-34356
  • Allyl methyl ether, 94% 10g
  • trans-2-propenyl methyl ether
  • Allyl methyl ether, 97%
  • CH2=CHCH2OCH3
  • Methyl 2-propenyl ether
  • methyl-2-propenyl ether

  • METHYLALLYL ETHER
  • 1-Methoxy-2-propene
  • 4-Oxapent-1-ene
  • MFCD00008649
  • Ether, allyl methyl
  • Methyl allyl ether
  • 3-Methoxypropene
  • 1-Propene, 3-methoxy-
  • 3-Methoxy-1-propene
  • 627-40-7

  • Allyl methyl ether

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Allyl methyl ether Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Allyl methyl ether?
C4H8O
How many atoms and what are the elements included the Allyl methyl ether molecule?
13 atom(s) - 8 Hydrogen atom(s), 4 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Allyl methyl ether structure?
12 bond(s) - 4 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), and 1 ether(s) (aliphatic)
What’s the Allyl methyl ether’s molecular weight?
72.10572 g/mol
What’s the SMILES code of Allyl methyl ether?
COCC=C
What’s the InChI string of Allyl methyl ether?
InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3
What’s the InChIKey code of Allyl methyl ether?
FASUFOTUSHAIHG-UHFFFAOYSA-N

1188 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).