Home SDF/Mol File Ethyl 2-octenoate

SDF/Mol File of Ethyl 2-octenoate (C10H18O2)

Identification of Ethyl 2-octenoate Chemical Compound

2D chemical structure image of Ethyl 2-octenoate
Chemical Formula C10H18O2
Molecular Weight 170.24872 g/mol
IUPAC Name ethyl (2E)-oct-2-enoate
SMILES String CCCCCC=CC(=O)OCC
InChI InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8+
InChIKey AISZSTYLOVXFII-CMDGGOBGSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of Ethyl 2-octenoate 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 Ethyl 2-octenoate 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 Ethyl 2-octenoate
Ball-and-stick model of Ethyl 2-octenoate

Additional Information for Identifying Ethyl 2-octenoate Molecule

  • Chemical structure of Ethyl 2-octenoate

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Ethyl 2-octenoate is available in chemical structure page of Ethyl 2-octenoate, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of Ethyl 2-octenoate

    The molecular weight of Ethyl 2-octenoate is available in molecular weight page of Ethyl 2-octenoate, 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 Ethyl 2-octenoate

    The chemical formula of Ethyl 2-octenoate is given in chemical formula page of Ethyl 2-octenoate, 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 Ethyl 2-octenoate

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of Ethyl 2-octenoate is:

    InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8+

    It can provide a standard way to encode the molecular information of Ethyl 2-octenoate 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 Ethyl 2-octenoate is:

    InChIKey=AISZSTYLOVXFII-CMDGGOBGSA-N

    The InChIKey may allow easier web searches for Ethyl 2-octenoate, but it needs to be linked to the full InChI to get back to the original structure of the Ethyl 2-octenoate since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of Ethyl 2-octenoate

    The Ethyl 2-octenoate compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Ethyl 2-octenoate including the registry numbers are listed below, if available:

    • Ethyl 2-octenoate
    • Ethyl (E)-2-octenoate
    • 2-Octenoic acid, ethyl ester
    • 7367-82-0
    • ethyl trans-2-octenoate
    • Ethyl (E)-oct-2-enoate
    • 2351-90-8
    • Ethyl 2-octenoate, trans-
    • 2-Octenoic acid, ethyl ester, (E)-
    • FEMA No. 3643
    • Ethyltrans-2-octenoate
    • Ethyl oct-2-enoate
    • Ethyl 2-octenoate, (E)-
    • trans-2-Octenoic acid ethyl ester
    • (E)-Oct-2-enoic acid ethyl ester
    • 2-octenoic acid ethyl ester
    • 2-Octenoic acid, ethyl ester, (2E)-
    • Ethyl-trans-2-octenoate
    • ethyl (2E)-oct-2-enoate
    • 2-Octenoic acid, ethylester
    • Ethyl (2E)-2-octenoate #
    • 44BPD919TX
    • MFCD00015287
    • RTR-037621
    • Ethyl-trans-2-octenoate, >=98%, FG
    • O0286
    • O80071
    • I04-8459
    • Ethyl-trans-2-octenoate
    • Ethyl oct-2-enoate
    • (E)-oct-2-enoic acid ethyl ester
    • oct-2-enoic acid ethyl ester
    • 7367-82-0
    • 2351-90-8
    • trans-2-Octenoic acid ethyl ester
    • 2-Octenoic acid, ethyl ester
    • Ethyl 2-octenoate
    • 2-Octenoic acid, ethyl ester, (E)-
    • ETHYL (TRANS)-2-OCTENOATE
    • Ethyl (E)-2-octenoate
    • Ethyl 2-octenoate, (E)-
    • Ethyl 2-octenoate, trans-
    • FEMA No. 3643
    • Ethyl (E)-oct-2-enoate

Ethyl 2-octenoate Identification Summary Frequently Asked Questions (FAQs)

What’s the Ethyl 2-octenoate formula?
C10H18O2
How many atoms and what elements are included in the Ethyl 2-octenoate molecule?
30 atom(s) – 18 Hydrogen atom(s), 10 Carbon atom(s) and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the Ethyl 2-octenoate structure?
29 bond(s) – 11 non-H bond(s), 2 multiple bond(s), 7 rotatable bond(s), 2 double bond(s) and 1 ester(s) (aliphatic)
What’s the Ethyl 2-octenoate’s molar mass?
170.24872 g/mol
What’s the SMILES structure of Ethyl 2-octenoate?
CCCCCC=CC(=O)OCC
What’s the InChI code of Ethyl 2-octenoate?
InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8+
What’s the InChIKey format of Ethyl 2-octenoate?
AISZSTYLOVXFII-CMDGGOBGSA-N

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