SDF/Mol File of TETRADECYL METHACRYLATE (C18H34O2)
Identification of TETRADECYL METHACRYLATE Chemical Compound
| Chemical Formula | C18H34O2 |
|---|---|
| Molecular Weight | 282.46136 g/mol |
| IUPAC Name | tetradecyl 2-methylprop-2-enoate |
| SMILES String | CCCCCCCCCCCCCCOC(=O)C(C)=C |
| InChI | InChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h2,4-16H2,1,3H3 |
| InChIKey | ATZHWSYYKQKSSY-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of TETRADECYL METHACRYLATE 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 TETRADECYL METHACRYLATE 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.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying TETRADECYL METHACRYLATE Molecule
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Chemical structure of TETRADECYL METHACRYLATE
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of TETRADECYL METHACRYLATE is available in chemical structure page of TETRADECYL METHACRYLATE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of TETRADECYL METHACRYLATE
The molecular weight of TETRADECYL METHACRYLATE is available in molecular weight page of TETRADECYL METHACRYLATE, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of TETRADECYL METHACRYLATE
The chemical formula of TETRADECYL METHACRYLATE is given in chemical formula page of TETRADECYL METHACRYLATE, 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 TETRADECYL METHACRYLATE
An alternative way of expressing structural information in text format is InChI. The full standard InChI of TETRADECYL METHACRYLATE is:
InChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h2,4-16H2,1,3H3
It can provide a standard way to encode the molecular information of TETRADECYL METHACRYLATE 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 TETRADECYL METHACRYLATE is:
InChIKey=ATZHWSYYKQKSSY-UHFFFAOYSA-N
The InChIKey may allow easier web searches for TETRADECYL METHACRYLATE, but it needs to be linked to the full InChI to get back to the original structure of the TETRADECYL METHACRYLATE since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of TETRADECYL METHACRYLATE
The TETRADECYL METHACRYLATE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of TETRADECYL METHACRYLATE including the registry numbers are listed below, if available:
- 437757-69-2
- 402820-27-3
- 30525-99-6
- 64043KD67R
- 2-Propenoic acid, 2-methyl-, tetradecyl ester, homopolymer
- Methacrylic acid tetradecyl ester
- Tetradecyl 2-methyl-2-propenoate, polymer
- Tetradecyl 2-methyl-2-propenoate
- 2-Propenoic acid,2-methyl-, tetradecyl ester
- Methacrylic acid, tetradecyl ester
- 2-Propenoic acid, 2-methyl-, tetradecyl ester
- 2549-53-3
- Myristyl methacrylate
- TETRADECYL METHACRYLATE
TETRADECYL METHACRYLATE Identification Summary Frequently Asked Questions (FAQs)
| What’s the TETRADECYL METHACRYLATE formula? |
|---|
| C18H34O2 |
| How many atoms and what elements are included in the TETRADECYL METHACRYLATE molecule? |
| 54 atom(s) - 34 Hydrogen atom(s), 18 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the TETRADECYL METHACRYLATE structure? |
| 53 bond(s) - 19 non-H bond(s), 2 multiple bond(s), 15 rotatable bond(s), 2 double bond(s), and 1 ester(s) (aliphatic) |
| What’s the TETRADECYL METHACRYLATE’s molar mass? |
| 282.46136 g/mol |
| What’s the SMILES structure of TETRADECYL METHACRYLATE? |
| CCCCCCCCCCCCCCOC(=O)C(C)=C |
| What’s the InChI code of TETRADECYL METHACRYLATE? |
| InChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h2,4-16H2,1,3H3 |
| What’s the InChIKey format of TETRADECYL METHACRYLATE? |
| ATZHWSYYKQKSSY-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).