About [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene
[diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene (PubChem CID 101454481) has the molecular formula C51H76O5
and a molecular weight of 769.16 g/mol. Its IUPAC name is [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene.
Molecular Properties
| Compound Name | [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene |
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| PubChem CID | 101454481 |
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| Molecular Formula | C51H76O5 |
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| Molecular Weight | 769.16 g/mol |
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| Exact Mass | 768.57 |
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| IUPAC Name | [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene |
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| SMILES | C=CCCCCCCCCCC(CCCCCCCCCC=C)COCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1 |
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| InChI | InChI=1S/C51H76O5/c1-3-5-7-9-11-13-15-17-22-30-47(31-23-18-16-14-12-10-8-6-4-2)46-55-43-42-53-39-38-52-40-41-54-44-45-56-51(48-32-24-19-25-33-48,49-34-26-20-27-35-49)50-36-28-21-29-37-50/h3-4,19-21,24-29,32-37,47H,1-2,5-18,22-23,30-31,38-46H2 |
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| InChIKey | OGIKTYHZDRUAKN-UHFFFAOYSA-N |
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| XLogP | 13.07 |
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| TPSA | 46.15 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 38 |
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| Heavy Atoms | 56 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 769.16 |
| LogP ≤ 5 | 13.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene?
The IUPAC name of [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene (CID 101454481) is [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene.
What is the SMILES notation for [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene?
The canonical SMILES for [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene is C=CCCCCCCCCCC(CCCCCCCCCC=C)COCCOCCOCCOCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene?
The InChIKey is OGIKTYHZDRUAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H76O5/c1-3-5-7-9-11-13-15-17-22-30-47(31-23-18-16-14-12-10-8-6-4-2)46-55-43-42-53-39-38-52-40-41-54-44-45-56-51(48-32-24-19-25-33-48,49-34-26-20-27-35-49)50-36-28-21-29-37-50/h3-4,19-21,24-29,32-37,47H,1-2,5-18,22-23,30-31,38-46H2.
What are the key properties of [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene?
[diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene has a molecular weight of 769.16 g/mol, XLogP of 13.07, 38 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl-[2-[2-[2-[2-(2-undec-10-enyltridec-12-enoxy)ethoxy]ethoxy]ethoxy]ethoxy]methyl]benzene is sourced from PubChem (CID 101454481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).