About hexakis(2-isocyano-2-methylpropane);tungsten
hexakis(2-isocyano-2-methylpropane);tungsten (PubChem CID 58239997) has the molecular formula C30H54N6W
and a molecular weight of 682.64 g/mol. Its IUPAC name is hexakis(2-isocyano-2-methylpropane);tungsten.
Molecular Properties
| Compound Name | hexakis(2-isocyano-2-methylpropane);tungsten |
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| PubChem CID | 58239997 |
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| Molecular Formula | C30H54N6W |
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| Molecular Weight | 682.64 g/mol |
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| Exact Mass | 682.39 |
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| IUPAC Name | hexakis(2-isocyano-2-methylpropane);tungsten |
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| SMILES | [C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[W] |
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| InChI | InChI=1S/6C5H9N.W/c6*1-5(2,3)6-4;/h6*1-3H3; |
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| InChIKey | LTKUFOXNRXPCGD-UHFFFAOYSA-N |
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| XLogP | 10.22 |
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| TPSA | 26.16 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 682.64 |
| LogP ≤ 5 | 10.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of hexakis(2-isocyano-2-methylpropane);tungsten?
The IUPAC name of hexakis(2-isocyano-2-methylpropane);tungsten (CID 58239997) is hexakis(2-isocyano-2-methylpropane);tungsten.
What is the SMILES notation for hexakis(2-isocyano-2-methylpropane);tungsten?
The canonical SMILES for hexakis(2-isocyano-2-methylpropane);tungsten is [C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[C-]#[N+]C(C)(C)C.[W].
What is the InChIKey of hexakis(2-isocyano-2-methylpropane);tungsten?
The InChIKey is LTKUFOXNRXPCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/6C5H9N.W/c6*1-5(2,3)6-4;/h6*1-3H3;.
What are the key properties of hexakis(2-isocyano-2-methylpropane);tungsten?
hexakis(2-isocyano-2-methylpropane);tungsten has a molecular weight of 682.64 g/mol, XLogP of 10.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(2-isocyano-2-methylpropane);tungsten is sourced from PubChem (CID 58239997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).