About CID 11763292
CID 11763292 (PubChem CID 11763292) has the molecular formula C34H44Zr+2
and a molecular weight of 543.95 g/mol.
Molecular Properties
| Compound Name | CID 11763292 |
|---|
| PubChem CID | 11763292 |
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| Molecular Formula | C34H44Zr+2 |
|---|
| Molecular Weight | 543.95 g/mol |
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| Exact Mass | 542.25 |
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| IUPAC Name | — |
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| SMILES | CC(C)(C)C1=C[C]2[C](C=C1)[C]1C=CC(C(C)(C)C)=C[C]1[C]2C1([C]2[CH][CH][CH][CH]2)CCCCC1.[CH3-].[CH3-].[Zr+4] |
|---|
| InChI | InChI=1S/C32H38.2CH3.Zr/c1-30(2,3)23-14-16-25-26-17-15-24(31(4,5)6)21-28(26)29(27(25)20-23)32(18-10-7-11-19-32)22-12-8-9-13-22;;;/h8-9,12-17,20-21H,7,10-11,18-19H2,1-6H3;2*1H3;/q;2*-1;+4 |
|---|
| InChIKey | GLWBHLNRBDOPFF-UHFFFAOYSA-N |
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| XLogP | 9.21 |
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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 | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 543.95 |
| LogP ≤ 5 | 9.21 |
| 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 11763292?
The IUPAC name of CID 11763292 (CID 11763292) is not available.
What is the SMILES notation for CID 11763292?
The canonical SMILES for CID 11763292 is CC(C)(C)C1=C[C]2[C](C=C1)[C]1C=CC(C(C)(C)C)=C[C]1[C]2C1([C]2[CH][CH][CH][CH]2)CCCCC1.[CH3-].[CH3-].[Zr+4].
What is the InChIKey of CID 11763292?
The InChIKey is GLWBHLNRBDOPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38.2CH3.Zr/c1-30(2,3)23-14-16-25-26-17-15-24(31(4,5)6)21-28(26)29(27(25)20-23)32(18-10-7-11-19-32)22-12-8-9-13-22;;;/h8-9,12-17,20-21H,7,10-11,18-19H2,1-6H3;2*1H3;/q;2*-1;+4.
What are the key properties of CID 11763292?
CID 11763292 has a molecular weight of 543.95 g/mol, XLogP of 9.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11763292 is sourced from PubChem (CID 11763292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).