About 1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite
1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite (PubChem CID 118856488) has the molecular formula C99H128O30P8
and a molecular weight of 2045.87 g/mol. Its IUPAC name is 1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite.
Molecular Properties
| Compound Name | 1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite |
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| PubChem CID | 118856488 |
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| Molecular Formula | C99H128O30P8 |
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| Molecular Weight | 2045.87 g/mol |
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| Exact Mass | 2044.64 |
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| IUPAC Name | 1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite |
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| SMILES | CC(COP(Oc1ccccc1)Oc1ccccc1)OCC(C)OP(OCC(C)OCC(C)OP(OCC(C)OCC(C)OP(OCC(C)OP(OCC(C)OCC(C)OP(OCC(C)OCC(C)OP(OCC(C)OCC(C)OP(Oc1ccccc1)Oc1ccccc1)Oc1ccccc1)Oc1ccccc1)Oc1ccccc1)Oc1ccccc1)Oc1ccccc1)Oc1ccccc1 |
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| InChI | InChI=1S/C99H128O30P8/c1-77(101-65-84(8)115-133(123-93-50-30-17-31-51-93)109-73-81(5)105-69-88(12)119-137(128-98-60-40-22-41-61-98)129-99-62-42-23-43-63-99)70-106-130(120-90-44-24-14-25-45-90)114-85(9)66-102-80(4)74-110-134(124-94-52-32-18-33-53-94)118-89(13)76-112-135(125-95-54-34-19-35-55-95)117-87(11)68-103-79(3)72-108-131(121-91-46-26-15-27-47-91)113-83(7)64-100-78(2)71-107-132(122-92-48-28-16-29-49-92)116-86(10)67-104-82(6)75-111-136(126-96-56-36-20-37-57-96)127-97-58-38-21-39-59-97/h14-63,77-89H,64-76H2,1-13H3 |
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| InChIKey | NQDBYHFVTPWKLW-UHFFFAOYSA-N |
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| XLogP | 26.97 |
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| TPSA | 276.90 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 30 |
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| Rotatable Bonds | 73 |
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| Heavy Atoms | 137 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 2045.87 |
| LogP ≤ 5 | 26.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Analyze 1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite?
The IUPAC name of 1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite (CID 118856488) is 1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite.
What is the SMILES notation for 1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite?
The canonical SMILES for 1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite is CC(COP(Oc1ccccc1)Oc1ccccc1)OCC(C)OP(OCC(C)OCC(C)OP(OCC(C)OCC(C)OP(OCC(C)OP(OCC(C)OCC(C)OP(OCC(C)OCC(C)OP(OCC(C)OCC(C)OP(Oc1ccccc1)Oc1ccccc1)Oc1ccccc1)Oc1ccccc1)Oc1ccccc1)Oc1ccccc1)Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite?
The InChIKey is NQDBYHFVTPWKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H128O30P8/c1-77(101-65-84(8)115-133(123-93-50-30-17-31-51-93)109-73-81(5)105-69-88(12)119-137(128-98-60-40-22-41-61-98)129-99-62-42-23-43-63-99)70-106-130(120-90-44-24-14-25-45-90)114-85(9)66-102-80(4)74-110-134(124-94-52-32-18-33-53-94)118-89(13)76-112-135(125-95-54-34-19-35-55-95)117-87(11)68-103-79(3)72-108-131(121-91-46-26-15-27-47-91)113-83(7)64-100-78(2)71-107-132(122-92-48-28-16-29-49-92)116-86(10)67-104-82(6)75-111-136(126-96-56-36-20-37-57-96)127-97-58-38-21-39-59-97/h14-63,77-89H,64-76H2,1-13H3.
What are the key properties of 1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite?
1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite has a molecular weight of 2045.87 g/mol, XLogP of 26.97, 73 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-diphenoxyphosphanyloxypropan-2-yloxy)propan-2-yl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diphenoxyphosphanyloxypropoxy)propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy-phenoxyphosphanyl]oxypropoxy]propoxy-phenoxyphosphanyl]oxypropoxy]propyl phenyl phosphite is sourced from PubChem (CID 118856488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).