About CID 135082986
CID 135082986 (PubChem CID 135082986) has the molecular formula C20H20Zr
and a molecular weight of 351.60 g/mol.
Molecular Properties
| Compound Name | CID 135082986 |
|---|
| PubChem CID | 135082986 |
|---|
| Molecular Formula | C20H20Zr |
|---|
| Molecular Weight | 351.60 g/mol |
|---|
| Exact Mass | 350.06 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [CH3-].[CH3-].[CH]1[CH][C]2C=CC=C[C]2[CH]1.[CH]1[CH][C]2C=CC=C[C]2[CH]1.[Zr+2] |
|---|
| InChI | InChI=1S/2C9H7.2CH3.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;;;/h2*1-7H;2*1H3;/q;;2*-1;+2 |
|---|
| InChIKey | IARHTOXFDZEASY-UHFFFAOYSA-N |
|---|
| XLogP | 4.67 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 21 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 351.60 |
| LogP ≤ 5 | 4.67 |
| 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 135082986?
The IUPAC name of CID 135082986 (CID 135082986) is not available.
What is the SMILES notation for CID 135082986?
The canonical SMILES for CID 135082986 is [CH3-].[CH3-].[CH]1[CH][C]2C=CC=C[C]2[CH]1.[CH]1[CH][C]2C=CC=C[C]2[CH]1.[Zr+2].
What is the InChIKey of CID 135082986?
The InChIKey is IARHTOXFDZEASY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.2CH3.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;;;/h2*1-7H;2*1H3;/q;;2*-1;+2.
What are the key properties of CID 135082986?
CID 135082986 has a molecular weight of 351.60 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135082986 is sourced from PubChem (CID 135082986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).