Formula of Oxacyclododecan-2-one (C11H20O2)
Identification of Oxacyclododecan-2-one Chemical Compound
| Chemical Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.2753 g/mol |
| IUPAC Name | 1-oxacyclododecan-2-one |
| SMILES String | O=C1CCCCCCCCCCO1 |
| InChI | InChI=1S/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2 |
| InChIKey | MVOSYKNQRRHGKX-UHFFFAOYSA-N |
Chemical Formula Description
The Oxacyclododecan-2-one molecule contains a total of 33 atom(s). There are 20 Hydrogen atom(s), 11 Carbon atom(s), and 2 Oxygen atom(s). A chemical formula of Oxacyclododecan-2-one can therefore be written as:
C11H20O2
The chemical formula of Oxacyclododecan-2-one 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.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Oxacyclododecan-2-one Molecule
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Structure Data File (SDF/MOL File) of Oxacyclododecan-2-one
The structure data file (SDF/MOL File) of Oxacyclododecan-2-one is available for download in the SDF page of Oxacyclododecan-2-one providing the information about the atoms, bonds, connectivity and coordinates of Oxacyclododecan-2-one, which is not completely available in the chemical formula representation. The Oxacyclododecan-2-one structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Oxacyclododecan-2-one
The chemical structure image of Oxacyclododecan-2-one is available in chemical structure page of Oxacyclododecan-2-one, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Oxacyclododecan-2-one and the chemical bonds that hold the atoms together.
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Molecular weight of Oxacyclododecan-2-one
The molecular weight of Oxacyclododecan-2-one is available in molecular weight page of Oxacyclododecan-2-one, 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 Oxacyclododecan-2-one.
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InChI (IUPAC International Chemical Identifier) information of Oxacyclododecan-2-one
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Oxacyclododecan-2-one is:
InChI=1S/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2
It can provide a standard way to encode the molecular information of Oxacyclododecan-2-one 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 Oxacyclododecan-2-one is:
InChIKey=MVOSYKNQRRHGKX-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Oxacyclododecan-2-one, but it needs to be linked to the full InChI to get back to the original structure of the Oxacyclododecan-2-one since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Oxacyclododecan-2-one
The Oxacyclododecan-2-one compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Oxacyclododecan-2-one including the registry numbers is given below, if available:
- AR-1K9304
- 1335-45-1
- S14-1377
- J-010825
- A811425
- LMFA07040001
- 4E2392MT4H
- 11-Hydroxyundecanoicacidlactone
- Oxacyclododecan-2-one, 98%
- Undecanoic |O-lactone
- 11-Undecanolide
- 34817-44-2
- 2-oxacyclododecan-1-one
- 11-Hydroxyundecanoic acid lactone
- 39282-36-5
- 1-Oxa-2-cyclododecanone
- Undecanoic acid, hydroxy-, lactone
- 11-Hydroxyundecanoic acid, lactone
- 1725-03-7
- 11-Undecanolactone
- Oxacyclododecan-2-one
Oxacyclododecan-2-one Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Oxacyclododecan-2-one? |
|---|
| C11H20O2 |
| How many atoms and what are they in the Oxacyclododecan-2-one structure? |
| 33 atom(s) - 20 Hydrogen atom(s), 11 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what are they in the Oxacyclododecan-2-one structure? |
| 33 bond(s) - 13 non-H bond(s), 1 multiple bond(s), 1 double bond(s), 1 twelve-membered ring(s), and 1 ester(s) (aliphatic) |
| What’s the molecular weight of Oxacyclododecan-2-one? |
| 184.2753 g/mol |
| What’s the SMILES string of Oxacyclododecan-2-one? |
| O=C1CCCCCCCCCCO1 |
| What’s the InChI of Oxacyclododecan-2-one? |
| InChI=1S/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2 |
| What’s the InChIKey of Oxacyclododecan-2-one? |
| MVOSYKNQRRHGKX-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).