About carbanide;bis(ditert-butyl(cyclopentyl)phosphane);iron(2+)
carbanide;bis(ditert-butyl(cyclopentyl)phosphane);iron(2+) (PubChem CID 137319808) has the molecular formula C28H60FeP2
and a molecular weight of 514.58 g/mol. Its IUPAC name is carbanide;bis(ditert-butyl(cyclopentyl)phosphane);iron(2+).
Molecular Properties
| Compound Name | carbanide;bis(ditert-butyl(cyclopentyl)phosphane);iron(2+) |
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| PubChem CID | 137319808 |
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| Molecular Formula | C28H60FeP2 |
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| Molecular Weight | 514.58 g/mol |
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| Exact Mass | 514.35 |
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| IUPAC Name | carbanide;bis(ditert-butyl(cyclopentyl)phosphane);iron(2+) |
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| SMILES | CC(C)(C)P(C1CCCC1)C(C)(C)C.CC(C)(C)P(C1CCCC1)C(C)(C)C.[CH3-].[CH3-].[Fe+2] |
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| InChI | InChI=1S/2C13H27P.2CH3.Fe/c2*1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;;;/h2*11H,7-10H2,1-6H3;2*1H3;/q;;2*-1;+2 |
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| InChIKey | OSQMFYRLKISOLY-UHFFFAOYSA-N |
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| XLogP | 10.91 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 514.58 |
| LogP ≤ 5 | 10.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 carbanide;bis(ditert-butyl(cyclopentyl)phosphane);iron(2+)?
The IUPAC name of carbanide;bis(ditert-butyl(cyclopentyl)phosphane);iron(2+) (CID 137319808) is carbanide;bis(ditert-butyl(cyclopentyl)phosphane);iron(2+).
What is the SMILES notation for carbanide;bis(ditert-butyl(cyclopentyl)phosphane);iron(2+)?
The canonical SMILES for carbanide;bis(ditert-butyl(cyclopentyl)phosphane);iron(2+) is CC(C)(C)P(C1CCCC1)C(C)(C)C.CC(C)(C)P(C1CCCC1)C(C)(C)C.[CH3-].[CH3-].[Fe+2].
What is the InChIKey of carbanide;bis(ditert-butyl(cyclopentyl)phosphane);iron(2+)?
The InChIKey is OSQMFYRLKISOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H27P.2CH3.Fe/c2*1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;;;/h2*11H,7-10H2,1-6H3;2*1H3;/q;;2*-1;+2.
What are the key properties of carbanide;bis(ditert-butyl(cyclopentyl)phosphane);iron(2+)?
carbanide;bis(ditert-butyl(cyclopentyl)phosphane);iron(2+) has a molecular weight of 514.58 g/mol, XLogP of 10.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(ditert-butyl(cyclopentyl)phosphane);iron(2+) is sourced from PubChem (CID 137319808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).