Molecular Weight of ETHYLIDENE DIACETATE (C6H10O4)
Identification of ETHYLIDENE DIACETATE Chemical Compound
| 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 |
Molecular Weight Description
The ETHYLIDENE DIACETATE molecule consists of 10 Hydrogen atom(s), 6 Carbon atom(s), and 4 Oxygen atom(s) - a total of 20 atom(s). The molecular weight of ETHYLIDENE DIACETATE is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 146.1412 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying ETHYLIDENE DIACETATE Molecule
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Structure Data File (SDF/MOL File) of ETHYLIDENE DIACETATE
The structure data file (SDF/MOL File) of ETHYLIDENE DIACETATE is available for download in the SDF page of ETHYLIDENE DIACETATE, which provides the information on atoms, bonds, connectivity and coordinates of ETHYLIDENE DIACETATE. The ETHYLIDENE DIACETATE structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of ETHYLIDENE DIACETATE
The molecular structure image of ETHYLIDENE DIACETATE is available in chemical structure page of ETHYLIDENE DIACETATE, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in ETHYLIDENE DIACETATE and the chemical bonds that hold the atoms together.
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Chemical formula of ETHYLIDENE DIACETATE
The molecular 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.
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InChI (IUPAC International Chemical Identifier) information of ETHYLIDENE DIACETATE
In addition to the molecular weight information, the structural information of ETHYLIDENE DIACETATE in a textual expression is available via InChi. The full standard InChI of ETHYLIDENE DIACETATE is given below:
InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3
It can provide a 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
It may allow easier web searches for ETHYLIDENE DIACETATE. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the ETHYLIDENE DIACETATE as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of ETHYLIDENE DIACETATE
There may be different names of the ETHYLIDENE DIACETATE compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- AR-1B4499
- KST-1B6424
- 91593-91-8
- 895131-80-3
- 69345-93-3
- 69345-92-2
- 55799-51-4
- 39434-47-4
- 39423-33-1
- 11098-35-4
- I14-10682
- C-52375
- E0030
- CAS-542-10-9
- 9085-38-5
- MFCD00014980
- 7480AF
- 1,1-Ethanediol,1,1-diacetate
- KL1S8V6W25
- 1-(Acetyloxy)ethyl acetate #
- 1,1'-Diacetoxy-ethane
- 1-acetyloxyethyl acetate
- Diacetic acid ethylidene
- Ethylidenediacetate
- Ethylidene di(acetate)
- Polyoxymethylenes
- 66455-31-0
- 1,1-Ethanediol, 1,1-diacetate
- 1-acetoxyethyl acetate
- Delrin
- ethane-1,1-diyl diacetate
- 1,1-Ethanediol, diacetate
- Ethylidene acetate
- 1,1-Ethanediol Diacetate
- 542-10-9
- 1,1-Diacetoxyethane
- ETHYLIDENE DIACETATE
ETHYLIDENE DIACETATE Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of ETHYLIDENE DIACETATE? |
|---|
| C6H10O4 |
| How many atoms and what are the elements 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 types 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 molar mass of ETHYLIDENE DIACETATE? |
| 146.1412 g/mol |
| What’s the SMILES format of ETHYLIDENE DIACETATE? |
| CC(OC(C)=O)OC(C)=O |
| What’s the InChI format of ETHYLIDENE DIACETATE? |
| InChI=1S/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3 |
| What’s the InChIKey string of ETHYLIDENE DIACETATE? |
| ACKALUBLCWJVNB-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).