About cyclopentane;1-(2-diphenylphosphanyl-4-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron
cyclopentane;1-(2-diphenylphosphanyl-4-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron (PubChem CID 87635434) has the molecular formula C29H36FeNPSi-6
and a molecular weight of 513.52 g/mol. Its IUPAC name is cyclopentane;1-(2-diphenylphosphanyl-4-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron.
Molecular Properties
| Compound Name | cyclopentane;1-(2-diphenylphosphanyl-4-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron |
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| PubChem CID | 87635434 |
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| Molecular Formula | C29H36FeNPSi-6 |
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| Molecular Weight | 513.52 g/mol |
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| Exact Mass | 513.17 |
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| IUPAC Name | cyclopentane;1-(2-diphenylphosphanyl-4-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron |
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| SMILES | CC([c-]1cc([Si](C)(C)C)cc1P(c1ccccc1)c1ccccc1)N(C)C.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1 |
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| InChI | InChI=1S/C24H31NPSi.C5H5.Fe/c1-19(25(2)3)23-17-22(27(4,5)6)18-24(23)26(20-13-9-7-10-14-20)21-15-11-8-12-16-21;1-2-4-5-3-1;/h7-19H,1-6H3;1-5H;/q-1;-5; |
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| InChIKey | LEZOMKJFEXPZPA-UHFFFAOYSA-N |
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| XLogP | 5.73 |
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| TPSA | 3.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 513.52 |
| LogP ≤ 5 | 5.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of cyclopentane;1-(2-diphenylphosphanyl-4-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron?
The IUPAC name of cyclopentane;1-(2-diphenylphosphanyl-4-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron (CID 87635434) is cyclopentane;1-(2-diphenylphosphanyl-4-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron.
What is the SMILES notation for cyclopentane;1-(2-diphenylphosphanyl-4-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron?
The canonical SMILES for cyclopentane;1-(2-diphenylphosphanyl-4-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron is CC([c-]1cc([Si](C)(C)C)cc1P(c1ccccc1)c1ccccc1)N(C)C.[Fe].[cH-]1[cH-][cH-][cH-][cH-]1.
What is the InChIKey of cyclopentane;1-(2-diphenylphosphanyl-4-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron?
The InChIKey is LEZOMKJFEXPZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NPSi.C5H5.Fe/c1-19(25(2)3)23-17-22(27(4,5)6)18-24(23)26(20-13-9-7-10-14-20)21-15-11-8-12-16-21;1-2-4-5-3-1;/h7-19H,1-6H3;1-5H;/q-1;-5;.
What are the key properties of cyclopentane;1-(2-diphenylphosphanyl-4-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron?
cyclopentane;1-(2-diphenylphosphanyl-4-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron has a molecular weight of 513.52 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;1-(2-diphenylphosphanyl-4-trimethylsilylcyclopenta-2,4-dien-1-yl)-N,N-dimethylethanamine;iron is sourced from PubChem (CID 87635434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).