Formula of 4-DECENYL ACETATE (Z) (C12H22O2)
Identification of 4-DECENYL ACETATE (Z) Chemical Compound
| Chemical Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.30188 g/mol |
| IUPAC Name | (4Z)-dec-4-en-1-yl acetate |
| SMILES String | CCCCCC=CCCCOC(C)=O |
| InChI | InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h7-8H,3-6,9-11H2,1-2H3/b8-7- |
| InChIKey | OVBJYGLPPVUWAV-FPLPWBNLSA-N |
Chemical Formula Description
The 4-DECENYL ACETATE (Z) molecule contains a total of 36 atom(s). There are 22 Hydrogen atom(s), 12 Carbon atom(s), and 2 Oxygen atom(s). A chemical formula of 4-DECENYL ACETATE (Z) can therefore be written as:
C12H22O2
The chemical formula of 4-DECENYL ACETATE (Z) 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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Additional Information for Identifying 4-DECENYL ACETATE (Z) Molecule
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Structure Data File (SDF/MOL File) of 4-DECENYL ACETATE (Z)
The structure data file (SDF/MOL File) of 4-DECENYL ACETATE (Z) is available for download in the SDF page of 4-DECENYL ACETATE (Z) providing the information about the atoms, bonds, connectivity and coordinates of 4-DECENYL ACETATE (Z), which is not completely available in the chemical formula representation. The 4-DECENYL ACETATE (Z) structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of 4-DECENYL ACETATE (Z)
The chemical structure image of 4-DECENYL ACETATE (Z) is available in chemical structure page of 4-DECENYL ACETATE (Z), which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of 4-DECENYL ACETATE (Z) and the chemical bonds that hold the atoms together.
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Molecular weight of 4-DECENYL ACETATE (Z)
The molecular weight of 4-DECENYL ACETATE (Z) is available in molecular weight page of 4-DECENYL ACETATE (Z), 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 4-DECENYL ACETATE (Z).
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InChI (IUPAC International Chemical Identifier) information of 4-DECENYL ACETATE (Z)
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 4-DECENYL ACETATE (Z) is:
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h7-8H,3-6,9-11H2,1-2H3/b8-7-
It can provide a standard way to encode the molecular information of 4-DECENYL ACETATE (Z) 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 4-DECENYL ACETATE (Z) is:
InChIKey=OVBJYGLPPVUWAV-FPLPWBNLSA-N
The InChIKey may allow easier web searches for 4-DECENYL ACETATE (Z), but it needs to be linked to the full InChI to get back to the original structure of the 4-DECENYL ACETATE (Z) since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 4-DECENYL ACETATE (Z)
The 4-DECENYL ACETATE (Z) compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 4-DECENYL ACETATE (Z) including the registry numbers is given below, if available:
- J228F5961V
- LMFA07010207
- (4Z)-4-Decene-1-ol acetate
- (Z)-4-decen-1-yl acetate
- (Z)-4-Decenyl acetate
- cis-4-Decenyl acetate
- 67452-27-1
- [(Z)-dec-4-enyl] acetate
- 4Z-Decenyl acetate
- 4-DECENYL ACETATE (Z)
4-DECENYL ACETATE (Z) Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of 4-DECENYL ACETATE (Z)? |
|---|
| C12H22O2 |
| How many atoms and what are they in the 4-DECENYL ACETATE (Z) structure? |
| 36 atom(s) - 22 Hydrogen atom(s), 12 Carbon atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what are they in the 4-DECENYL ACETATE (Z) structure? |
| 35 bond(s) - 13 non-H bond(s), 2 multiple bond(s), 9 rotatable bond(s), 2 double bond(s), and 1 ester(s) (aliphatic) |
| What’s the molecular weight of 4-DECENYL ACETATE (Z)? |
| 198.30188 g/mol |
| What’s the SMILES string of 4-DECENYL ACETATE (Z)? |
| CCCCCC=CCCCOC(C)=O |
| What’s the InChI of 4-DECENYL ACETATE (Z)? |
| InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h7-8H,3-6,9-11H2,1-2H3/b8-7- |
| What’s the InChIKey of 4-DECENYL ACETATE (Z)? |
| OVBJYGLPPVUWAV-FPLPWBNLSA-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).