Download Structure Data File(SDF/Mol File) 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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of ETHYLIDENE DIACETATE is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of ETHYLIDENE DIACETATE molecule. It starts with a header block, followed by "connection table“, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

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

Additional Information for Identifying ETHYLIDENE DIACETATE Molecule

  • Chemical structure of ETHYLIDENE DIACETATE

    By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of ETHYLIDENE DIACETATE

    The chemical formula of ETHYLIDENE DIACETATE is given in chemical formula page of ETHYLIDENE DIACETATE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

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

    An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of ETHYLIDENE DIACETATE including the registry numbers are listed 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
    • KST-1B6424
    • AR-1B4499

ETHYLIDENE DIACETATE Identification Summary Frequently Asked Questions (FAQs)

  • What’s the ETHYLIDENE DIACETATE formula?

    C6H10O4
  • How many atoms and what elements are included in the ETHYLIDENE DIACETATE molecule?

    20 atom(s) – 10 Hydrogen atom(s), 6 Carbon atom(s) and 4 Oxygen atom(s)
  • How many chemical bonds and what kind of bonds are 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 ETHYLIDENE DIACETATE’s molar mass?

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

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

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

    ACKALUBLCWJVNB-UHFFFAOYSA-N

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