Molecular Weight of Tert-Amylbenzene (C11H16)
Identification of Tert-Amylbenzene Chemical Compound
| Chemical Formula | C11H16 |
|---|---|
| Molecular Weight | 148.24474 g/mol |
| IUPAC Name | (2-methylbutan-2-yl)benzene |
| SMILES String | CCC(C)(C)c1ccccc1 |
| InChI | InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3 |
| InChIKey | QHTJSSMHBLGUHV-UHFFFAOYSA-N |
Molecular Weight Description
The tert-Amylbenzene molecule consists of 16 Hydrogen atom(s) and 11 Carbon atom(s) - a total of 27 atom(s). The molecular weight of tert-Amylbenzene is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 148.24474 · \frac{g}{mol} $$
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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- CAS #: 64-17-5
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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 Tert-Amylbenzene Molecule
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Structure Data File (SDF/MOL File) of tert-Amylbenzene
The structure data file (SDF/MOL File) of tert-Amylbenzene is available for download in the SDF page of tert-Amylbenzene, which provides the information on atoms, bonds, connectivity and coordinates of tert-Amylbenzene. The tert-Amylbenzene 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 tert-Amylbenzene
The molecular structure image of tert-Amylbenzene is available in chemical structure page of tert-Amylbenzene, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in tert-Amylbenzene and the chemical bonds that hold the atoms together.
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Chemical formula of tert-Amylbenzene
The molecular formula of tert-Amylbenzene is given in chemical formula page of tert-Amylbenzene, 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 tert-Amylbenzene
In addition to the molecular weight information, the structural information of tert-Amylbenzene in a textual expression is available via InChi. The full standard InChI of tert-Amylbenzene is given below:
InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
It can provide a way to encode the molecular information of tert-Amylbenzene 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 tert-Amylbenzene is:
InChIKey=QHTJSSMHBLGUHV-UHFFFAOYSA-N
It may allow easier web searches for tert-Amylbenzene. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the tert-Amylbenzene as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of tert-Amylbenzene
There may be different names of the tert-Amylbenzene compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- C-02665
- EN300-90224
- tert-Amylbenzene, >=99%, H2O <100 ppm, acid <200 ppm
- W-107617
- I01-0860
- A814609
- A0751
- 4CH-007705
- MFCD00015187
- ANW-24106
- 0523AB
- BUTYL, 3-METHYL-3-PHENYL-
- Jsp004189
- Benzene,1-dimethylpropyl)-
- 2-Phenyl-2-methyl butane
- 1,1-dimethylpropylbenzene
- 2-methylbutan-2-ylbenzene
- 2-Phenyl-2-methylbutane
- Benzene, (1,1-dimethylpropyl)-
- Benzene, tert-pentyl-
- (1,1-DIMETHYLPROPYL)BENZENE
- 2-Methyl-2-phenylbutane
- 2049-95-8
- tert-Pentylbenzene
- tert-Amylbenzene
- t-amylbenzene
Tert-Amylbenzene Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of tert-Amylbenzene? |
|---|
| C11H16 |
| How many atoms and what are the elements in the tert-Amylbenzene molecule? |
| 27 atom(s) - 16 Hydrogen atom(s) and 11 Carbon atom(s) |
| How many chemical bonds and what types of bonds are in the tert-Amylbenzene structure? |
| 27 bond(s) - 11 non-H bond(s), 6 multiple bond(s), 2 rotatable bond(s), 6 aromatic bond(s), and 1 six-membered ring(s) |
| What’s the molar mass of tert-Amylbenzene? |
| 148.24474 g/mol |
| What’s the SMILES format of tert-Amylbenzene? |
| CCC(C)(C)c1ccccc1 |
| What’s the InChI format of tert-Amylbenzene? |
| InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3 |
| What’s the InChIKey string of tert-Amylbenzene? |
| QHTJSSMHBLGUHV-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).