Home Chemical Formula ETHYLIDENE DIACETATE

Chemical Formula of ETHYLIDENE DIACETATE (C6H10O4)

Identification of ETHYLIDENE DIACETATE Chemical Compound

2D chemical structure image of ETHYLIDENE DIACETATE
Chemical Formula C6H10O4
Molecular Weight 146.1412 g/mol
IUPAC Name 1-(acetyloxy)ethyl acetate
SMILES String CC(OC(C)=O)OC(C)=O
InChI InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3
InChIKey ACKALUBLCWJVNB-UHFFFAOYSA-N

Chemical Formula Description

The ETHYLIDENE DIACETATE molecule contains a total of 20 atom(s). There are 10 Hydrogen atom(s), 6 Carbon atom(s) and 4 Oxygen atom(s). A chemical formula of ETHYLIDENE DIACETATE can therefore be written as:

C6H10O4

The chemical formula of ETHYLIDENE DIACETATE shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of ETHYLIDENE DIACETATE
Ball-and-stick model of ETHYLIDENE DIACETATE

Additional Information for Identifying ETHYLIDENE DIACETATE Molecule

  • Structure Data File (SDF) of ETHYLIDENE DIACETATE

    The structure data file (SDF) of ETHYLIDENE DIACETATE is available for download in the SDF page of ETHYLIDENE DIACETATE providing the information about the atoms, bonds, connectivity and coordinates of ETHYLIDENE DIACETATE, which is not completely available in the chemical formula representation. The ETHYLIDENE DIACETATE structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

  • Chemical structure of ETHYLIDENE DIACETATE

    The chemical structure image of ETHYLIDENE DIACETATE is available in chemical structure page of ETHYLIDENE DIACETATE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of ETHYLIDENE DIACETATE and the chemical bonds that hold the atoms together.

  • Molecular weight of ETHYLIDENE DIACETATE

    The molecular weight of ETHYLIDENE DIACETATE is available in molecular weight page of ETHYLIDENE DIACETATE, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of ETHYLIDENE DIACETATE.

  • InChI (IUPAC International Chemical Identifier) information of ETHYLIDENE DIACETATE

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of ETHYLIDENE DIACETATE is:

    InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3

    It can provide a standard way to encode the molecular information of ETHYLIDENE DIACETATE to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of ETHYLIDENE DIACETATE is:

    InChIKey=ACKALUBLCWJVNB-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for ETHYLIDENE DIACETATE, but it needs to be linked to the full InChI to get back to the original structure of the ETHYLIDENE DIACETATE since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of ETHYLIDENE DIACETATE

    The ETHYLIDENE DIACETATE compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of ETHYLIDENE DIACETATE including the registry numbers is given below, if available:

    • ETHYLIDENE DIACETATE
    • 1,1-Diacetoxyethane
    • 542-10-9
    • 1,1-Ethanediol Diacetate
    • Ethylidene acetate
    • 1,1-Ethanediol, diacetate
    • ethane-1,1-diyl diacetate
    • Delrin
    • 1-acetoxyethyl acetate
    • 1,1-Ethanediol, 1,1-diacetate
    • 66455-31-0
    • Polyoxymethylenes
    • Ethylidene di(acetate)
    • Ethylidenediacetate
    • Diacetic acid ethylidene
    • 1-acetyloxyethyl acetate
    • 1,1'-Diacetoxy-ethane
    • 1-(Acetyloxy)ethyl acetate #
    • KL1S8V6W25
    • 1,1-Ethanediol,1,1-diacetate
    • 7480AF
    • MFCD00014980
    • 9085-38-5
    • CAS-542-10-9
    • E0030
    • C-52375
    • I14-10682
    • 11098-35-4
    • 39423-33-1
    • 39434-47-4
    • 55799-51-4
    • 69345-92-2
    • 69345-93-3
    • 895131-80-3
    • 91593-91-8

ETHYLIDENE DIACETATE Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of ETHYLIDENE DIACETATE?

    C6H10O4
  • How many atoms and what are they in the ETHYLIDENE DIACETATE structure?

    20 atom(s) – 10 Hydrogen atom(s), 6 Carbon atom(s) and 4 Oxygen atom(s)
  • How many chemical bonds and what are they in the ETHYLIDENE DIACETATE structure?

    19 bond(s) – 9 non-H bond(s), 2 multiple bond(s), 4 rotatable bond(s), 2 double bond(s) and 2 ester(s) (aliphatic)
  • What’s the molecular weight of ETHYLIDENE DIACETATE?

    146.1412 g/mol
  • What’s the SMILES string of ETHYLIDENE DIACETATE?

    CC(OC(C)=O)OC(C)=O
  • What’s the InChI of ETHYLIDENE DIACETATE?

    InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3
  • What’s the InChIKey of ETHYLIDENE DIACETATE?

    ACKALUBLCWJVNB-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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