Molecular Weight of Alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone (C19H26O3)
Identification of Alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone Chemical Compound
Chemical Formula | C19H26O3 |
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Molecular Weight | 302.40794 g/mol |
IUPAC Name | 3-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]oxolan-2-one |
SMILES String | CC(C)(C)c2cc(C=C1CCOC1=O)cc(c2O)C(C)(C)C |
InChI | InChI=1S/C19H26O3/c1-18(2,3)14-10-12(9-13-7-8-22-17(13)21)11-15(16(14)20)19(4,5)6/h9-11,20H,7-8H2,1-6H3 |
InChIKey | DFPYHQJPGCODSB-UHFFFAOYSA-N |
Molecular Weight Description
The alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone molecule consists of 26 Hydrogen atom(s), 19 Carbon atom(s), and 3 Oxygen atom(s) - a total of 48 atom(s). The molecular weight of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 302.40794 · \frac{g}{mol} $$
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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Additional Information for Identifying Alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone Molecule
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Structure Data File (SDF/MOL File) of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone
The structure data file (SDF/MOL File) of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone is available for download in the SDF page of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone, which provides the information on atoms, bonds, connectivity and coordinates of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone. The alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone 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 alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone
The molecular structure image of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone is available in chemical structure page of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone and the chemical bonds that hold the atoms together.
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Chemical formula of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone
The molecular formula of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone is given in chemical formula page of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone, 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 alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone
In addition to the molecular weight information, the structural information of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone in a textual expression is available via InChi. The full standard InChI of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone is given below:
InChI=1S/C19H26O3/c1-18(2,3)14-10-12(9-13-7-8-22-17(13)21)11-15(16(14)20)19(4,5)6/h9-11,20H,7-8H2,1-6H3
It can provide a way to encode the molecular information of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone 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 alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone is:
InChIKey=DFPYHQJPGCODSB-UHFFFAOYSA-N
It may allow easier web searches for alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone
There may be different names of the alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone
Alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone? |
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C19H26O3 |
How many atoms and what are the elements in the alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone molecule? |
48 atom(s) - 26 Hydrogen atom(s), 19 Carbon atom(s), and 3 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone structure? |
49 bond(s) - 23 non-H bond(s), 8 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), and 1 aromatic hydroxyl(s) |
What’s the molar mass of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone? |
302.40794 g/mol |
What’s the SMILES format of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone? |
CC(C)(C)c2cc(C=C1CCOC1=O)cc(c2O)C(C)(C)C |
What’s the InChI format of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone? |
InChI=1S/C19H26O3/c1-18(2,3)14-10-12(9-13-7-8-22-17(13)21)11-15(16(14)20)19(4,5)6/h9-11,20H,7-8H2,1-6H3 |
What’s the InChIKey string of alpha-(3,5-di-tert-butyl-4-hydroxybenzylidene)-gamma-butyrolactone? |
DFPYHQJPGCODSB-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).