About bis[bis(prop-2-enoxy)phosphoryl]-phenylphosphane;dichloro(phenyl)phosphane;tris(prop-2-enyl) phosphite
bis[bis(prop-2-enoxy)phosphoryl]-phenylphosphane;dichloro(phenyl)phosphane;tris(prop-2-enyl) phosphite (PubChem CID 158324226) has the molecular formula C33H45Cl2O9P5
and a molecular weight of 811.49 g/mol. Its IUPAC name is bis[bis(prop-2-enoxy)phosphoryl]-phenylphosphane;dichloro(phenyl)phosphane;tris(prop-2-enyl) phosphite.
Molecular Properties
| Compound Name | bis[bis(prop-2-enoxy)phosphoryl]-phenylphosphane;dichloro(phenyl)phosphane;tris(prop-2-enyl) phosphite |
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| PubChem CID | 158324226 |
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| Molecular Formula | C33H45Cl2O9P5 |
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| Molecular Weight | 811.49 g/mol |
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| Exact Mass | 810.11 |
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| IUPAC Name | bis[bis(prop-2-enoxy)phosphoryl]-phenylphosphane;dichloro(phenyl)phosphane;tris(prop-2-enyl) phosphite |
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| SMILES | C=CCOP(=O)(OCC=C)P(c1ccccc1)P(=O)(OCC=C)OCC=C.C=CCOP(OCC=C)OCC=C.ClP(Cl)c1ccccc1 |
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| InChI | InChI=1S/C18H25O6P3.C9H15O3P.C6H5Cl2P/c1-5-14-21-26(19,22-15-6-2)25(18-12-10-9-11-13-18)27(20,23-16-7-3)24-17-8-4;1-4-7-10-13(11-8-5-2)12-9-6-3;7-9(8)6-4-2-1-3-5-6/h5-13H,1-4,14-17H2;4-6H,1-3,7-9H2;1-5H |
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| InChIKey | GPFHXWYSLFHTTG-UHFFFAOYSA-N |
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| XLogP | 11.74 |
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| TPSA | 98.75 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 25 |
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| Heavy Atoms | 49 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 811.49 |
| LogP ≤ 5 | 11.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis[bis(prop-2-enoxy)phosphoryl]-phenylphosphane;dichloro(phenyl)phosphane;tris(prop-2-enyl) phosphite?
The IUPAC name of bis[bis(prop-2-enoxy)phosphoryl]-phenylphosphane;dichloro(phenyl)phosphane;tris(prop-2-enyl) phosphite (CID 158324226) is bis[bis(prop-2-enoxy)phosphoryl]-phenylphosphane;dichloro(phenyl)phosphane;tris(prop-2-enyl) phosphite.
What is the SMILES notation for bis[bis(prop-2-enoxy)phosphoryl]-phenylphosphane;dichloro(phenyl)phosphane;tris(prop-2-enyl) phosphite?
The canonical SMILES for bis[bis(prop-2-enoxy)phosphoryl]-phenylphosphane;dichloro(phenyl)phosphane;tris(prop-2-enyl) phosphite is C=CCOP(=O)(OCC=C)P(c1ccccc1)P(=O)(OCC=C)OCC=C.C=CCOP(OCC=C)OCC=C.ClP(Cl)c1ccccc1.
What is the InChIKey of bis[bis(prop-2-enoxy)phosphoryl]-phenylphosphane;dichloro(phenyl)phosphane;tris(prop-2-enyl) phosphite?
The InChIKey is GPFHXWYSLFHTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25O6P3.C9H15O3P.C6H5Cl2P/c1-5-14-21-26(19,22-15-6-2)25(18-12-10-9-11-13-18)27(20,23-16-7-3)24-17-8-4;1-4-7-10-13(11-8-5-2)12-9-6-3;7-9(8)6-4-2-1-3-5-6/h5-13H,1-4,14-17H2;4-6H,1-3,7-9H2;1-5H.
What are the key properties of bis[bis(prop-2-enoxy)phosphoryl]-phenylphosphane;dichloro(phenyl)phosphane;tris(prop-2-enyl) phosphite?
bis[bis(prop-2-enoxy)phosphoryl]-phenylphosphane;dichloro(phenyl)phosphane;tris(prop-2-enyl) phosphite has a molecular weight of 811.49 g/mol, XLogP of 11.74, 25 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(prop-2-enoxy)phosphoryl]-phenylphosphane;dichloro(phenyl)phosphane;tris(prop-2-enyl) phosphite is sourced from PubChem (CID 158324226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).