Structure & Deep Data of Acetal (C6H14O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Acetal molecule contains a total of 21 bond(s). There are 7 non-H bond(s), 4 rotatable bond(s), and 2 ether(s) (aliphatic). Images of the chemical structure of Acetal are given below:

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

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Additional Information for Identifying Acetal Molecule

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

  The SMILES string of Acetal is CCOC(C)OCC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Acetal.

• Structure Data File (SDF/MOL File) of Acetal

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

• Chemical formula of Acetal

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

• Molecular weight of Acetal

  The molecular weight of Acetal is available in molecular weight page of Acetal, 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 Acetal

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

  • BBV-266503
  • AR-1H6101
  • Z1258578254
  • F8880-7267
  • SR-01000944353-1
  • S14-1489
  • J-803005
  • J-001450
  • Acetaldehyde diethyl acetal, analytical standard
  • EN300-20127

  • D0455
  • N,N-Diethyl-N,N-dibenzyl ammonium chloride
  • 73506-93-1
  • 30846-29-8
  • Acetal [UN1088] [Flammable liquid]
  • UN 1088
  • Acetal [UN1088] [Flammable liquid]
  • MFCD00009243
  • Acetal (Acetaldehyde diethyl acetal)
  • Acetaldehyde diethyl acetal, 99%

  • Acetal, natural, FG, >=97%
  • ETHYL, 2,2-DIETHOXY-
  • 5G14F9E2HB
  • CH3CH(OC2H5)2
  • Acetal, >=98%, FG
  • Ethylidine diethyl ether
  • Diethoxy-1,1-ethane
  • MARTOGG LUCEL
  • Ethanal diethyl acetal
  • 1,1-diethoxy-ethane

  • Ethane, 1,1-diethoxy-, homopolymer
  • Capsicum annuum l
  • Acetal Natural
  • CAS-105-57-7
  • polyacetal
  • C6H14O2
  • 1,1-Diaethoxy-aethan [German]
  • FEMA No. 2002
  • 1,1-Diethoxy-ethaan [Dutch]
  • 1,1-Dietossietano [Italian]

  • Acetal diethylique [French]
  • Acetaldehyde ethyl acetal
  • Diaethylacetal [German]
  • diethoxyethane
  • Ethylidenediethyl ether
  • USAF DO-45
  • Acetale [Italian]
  • Ethane, diethoxy-
  • Acetal (natural)
  • Acetaal [Dutch]

  • 1,1-Diaethoxy-aethan
  • Acetaldehyde, diethyl acetal
  • 1,1-Diethoxy-ethaan
  • Acetale
  • Acetaal
  • Diethylacetal
  • 1,1-Dietossietano
  • Acetal diethylique
  • Diaethylacetal
  • Ethylidene diethyl ether

  • Ethane, 1,1-diethoxy-
  • Acetaldehyde diethyl acetal
  • Diethyl acetal
  • 105-57-7
  • Acetal

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Acetal Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Acetal?
C6H14O2
How many atoms and what are the elements included the Acetal molecule?
22 atom(s) - 14 Hydrogen atom(s), 6 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Acetal structure?
21 bond(s) - 7 non-H bond(s), 4 rotatable bond(s), and 2 ether(s) (aliphatic)
What’s the Acetal’s molecular weight?
118.17416 g/mol
What’s the SMILES code of Acetal?
CCOC(C)OCC
What’s the InChI string of Acetal?
InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
What’s the InChIKey code of Acetal?
DHKHKXVYLBGOIT-UHFFFAOYSA-N

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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).