About CID 15972071
CID 15972071 (PubChem CID 15972071) has the molecular formula C19H23AlZr
and a molecular weight of 369.60 g/mol.
Molecular Properties
| Compound Name | CID 15972071 |
|---|
| PubChem CID | 15972071 |
|---|
| Molecular Formula | C19H23AlZr |
|---|
| Molecular Weight | 369.60 g/mol |
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| Exact Mass | 368.07 |
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| IUPAC Name | — |
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| SMILES | [Al+3].[CH3-].[CH3-].[CH3-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2].[c-]1c[c-]ccc1 |
|---|
| InChI | InChI=1S/C6H4.2C5H5.3CH3.Al.Zr/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;;;;;/h1-3,6H;2*1-5H;3*1H3;;/q-2;;;3*-1;+3;+2 |
|---|
| InChIKey | XJVNOADLKGJZRR-UHFFFAOYSA-N |
|---|
| XLogP | 4.30 |
|---|
| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 21 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 369.60 |
| LogP ≤ 5 | 4.30 |
| 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 CID 15972071?
The IUPAC name of CID 15972071 (CID 15972071) is not available.
What is the SMILES notation for CID 15972071?
The canonical SMILES for CID 15972071 is [Al+3].[CH3-].[CH3-].[CH3-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2].[c-]1c[c-]ccc1.
What is the InChIKey of CID 15972071?
The InChIKey is XJVNOADLKGJZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.2C5H5.3CH3.Al.Zr/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;;;;;/h1-3,6H;2*1-5H;3*1H3;;/q-2;;;3*-1;+3;+2.
What are the key properties of CID 15972071?
CID 15972071 has a molecular weight of 369.60 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15972071 is sourced from PubChem (CID 15972071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).