Molecular Weight of Di-PPG-2 myreth-10 adipate (C44H86O8)
Identification of Di-PPG-2 myreth-10 adipate Chemical Compound
Chemical Formula | C44H86O8 |
---|---|
Molecular Weight | 743.14884 g/mol |
IUPAC Name | 1,6-bis({2-[2-(tetradecyloxy)propoxy]ethyl}) hexanedioate |
SMILES String | CCCCCCCCCCCCCCOC(C)COCCOC(=O)CCCCC(=O)OCCOCC(C)OCCCCCCCCCCCCCC |
InChI | InChI=1S/C44H86O8/c1-5-7-9-11-13-15-17-19-21-23-25-29-33-49-41(3)39-47-35-37-51-43(45)31-27-28-32-44(46)52-38-36-48-40-42(4)50-34-30-26-24-22-20-18-16-14-12-10-8-6-2/h41-42H,5-40H2,1-4H3 |
InChIKey | CMTCGMZAWBVEGZ-UHFFFAOYSA-N |
Molecular Weight Description
The Di-PPG-2 myreth-10 adipate molecule consists of 86 Hydrogen atom(s), 44 Carbon atom(s), and 8 Oxygen atom(s) - a total of 138 atom(s). The molecular weight of Di-PPG-2 myreth-10 adipate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 743.14884 · \frac{g}{mol} $$
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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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Di-PPG-2 myreth-10 adipate Molecule
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Structure Data File (SDF/MOL File) of Di-PPG-2 myreth-10 adipate
The structure data file (SDF/MOL File) of Di-PPG-2 myreth-10 adipate is available for download in the SDF page of Di-PPG-2 myreth-10 adipate, which provides the information on atoms, bonds, connectivity and coordinates of Di-PPG-2 myreth-10 adipate. The Di-PPG-2 myreth-10 adipate 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 Di-PPG-2 myreth-10 adipate
The molecular structure image of Di-PPG-2 myreth-10 adipate is available in chemical structure page of Di-PPG-2 myreth-10 adipate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Di-PPG-2 myreth-10 adipate and the chemical bonds that hold the atoms together.
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Chemical formula of Di-PPG-2 myreth-10 adipate
The molecular formula of Di-PPG-2 myreth-10 adipate is given in chemical formula page of Di-PPG-2 myreth-10 adipate, 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 Di-PPG-2 myreth-10 adipate
In addition to the molecular weight information, the structural information of Di-PPG-2 myreth-10 adipate in a textual expression is available via InChi. The full standard InChI of Di-PPG-2 myreth-10 adipate is given below:
InChI=1S/C44H86O8/c1-5-7-9-11-13-15-17-19-21-23-25-29-33-49-41(3)39-47-35-37-51-43(45)31-27-28-32-44(46)52-38-36-48-40-42(4)50-34-30-26-24-22-20-18-16-14-12-10-8-6-2/h41-42H,5-40H2,1-4H3
It can provide a way to encode the molecular information of Di-PPG-2 myreth-10 adipate 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 Di-PPG-2 myreth-10 adipate is:
InChIKey=CMTCGMZAWBVEGZ-UHFFFAOYSA-N
It may allow easier web searches for Di-PPG-2 myreth-10 adipate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Di-PPG-2 myreth-10 adipate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Di-PPG-2 myreth-10 adipate
There may be different names of the Di-PPG-2 myreth-10 adipate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- Oxirane, methyl-, polymer with oxirane, hexanedioate (2:1), ditetradecyl ether
- 397247-05-1
- Oxirane, 2-methyl-, polymer with oxirane, hexanedioate (2:1), ditetradecyl ether
- Di-PPG-2 myreth-10 adipate
Di-PPG-2 myreth-10 adipate Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of Di-PPG-2 myreth-10 adipate? |
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C44H86O8 |
How many atoms and what are the elements in the Di-PPG-2 myreth-10 adipate molecule? |
138 atom(s) - 86 Hydrogen atom(s), 44 Carbon atom(s), and 8 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the Di-PPG-2 myreth-10 adipate structure? |
137 bond(s) - 51 non-H bond(s), 2 multiple bond(s), 45 rotatable bond(s), 2 double bond(s), 2 ester(s) (aliphatic), and 4 ether(s) (aliphatic) |
What’s the molar mass of Di-PPG-2 myreth-10 adipate? |
743.14884 g/mol |
What’s the SMILES format of Di-PPG-2 myreth-10 adipate? |
CCCCCCCCCCCCCCOC(C)COCCOC(=O)CCCCC(=O)OCCOCC(C)OCCCCCCCCCCCCCC |
What’s the InChI format of Di-PPG-2 myreth-10 adipate? |
InChI=1S/C44H86O8/c1-5-7-9-11-13-15-17-19-21-23-25-29-33-49-41(3)39-47-35-37-51-43(45)31-27-28-32-44(46)52-38-36-48-40-42(4)50-34-30-26-24-22-20-18-16-14-12-10-8-6-2/h41-42H,5-40H2,1-4H3 |
What’s the InChIKey string of Di-PPG-2 myreth-10 adipate? |
CMTCGMZAWBVEGZ-UHFFFAOYSA-N |
337
The contents of this page can freely be shared if cited as follows:
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).