About 1,2-dimethanidylcycloheptane;yttrium
1,2-dimethanidylcycloheptane;yttrium (PubChem CID 162770060) has the molecular formula C9H16Y-2
and a molecular weight of 213.13 g/mol. Its IUPAC name is 1,2-dimethanidylcycloheptane;yttrium.
Molecular Properties
| Compound Name | 1,2-dimethanidylcycloheptane;yttrium |
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| PubChem CID | 162770060 |
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| Molecular Formula | C9H16Y-2 |
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| Molecular Weight | 213.13 g/mol |
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| Exact Mass | 213.03 |
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| IUPAC Name | 1,2-dimethanidylcycloheptane;yttrium |
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| SMILES | [CH2-]C1CCCCCC1[CH2-].[Y] |
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| InChI | InChI=1S/C9H16.Y/c1-8-6-4-3-5-7-9(8)2;/h8-9H,1-7H2;/q-2; |
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| InChIKey | MRJJGPGXAAFSON-UHFFFAOYSA-N |
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| XLogP | 2.85 |
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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 | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 213.13 |
| LogP ≤ 5 | 2.85 |
| 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 1,2-dimethanidylcycloheptane;yttrium?
The IUPAC name of 1,2-dimethanidylcycloheptane;yttrium (CID 162770060) is 1,2-dimethanidylcycloheptane;yttrium.
What is the SMILES notation for 1,2-dimethanidylcycloheptane;yttrium?
The canonical SMILES for 1,2-dimethanidylcycloheptane;yttrium is [CH2-]C1CCCCCC1[CH2-].[Y].
What is the InChIKey of 1,2-dimethanidylcycloheptane;yttrium?
The InChIKey is MRJJGPGXAAFSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.Y/c1-8-6-4-3-5-7-9(8)2;/h8-9H,1-7H2;/q-2;.
What are the key properties of 1,2-dimethanidylcycloheptane;yttrium?
1,2-dimethanidylcycloheptane;yttrium has a molecular weight of 213.13 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethanidylcycloheptane;yttrium is sourced from PubChem (CID 162770060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).