About CID 21261332
CID 21261332 (PubChem CID 21261332) has the molecular formula C32H38Cl2SiZr
and a molecular weight of 612.87 g/mol.
Molecular Properties
| Compound Name | CID 21261332 |
|---|
| PubChem CID | 21261332 |
|---|
| Molecular Formula | C32H38Cl2SiZr |
|---|
| Molecular Weight | 612.87 g/mol |
|---|
| Exact Mass | 610.12 |
|---|
| IUPAC Name | — |
|---|
| SMILES | C1CC[Si]C1.CC1=[C-]C(C)C=C1c1cccc(C)c1.CC1=[C-]C(C)C=C1c1cccc(C)c1.[Cl-].[Cl-].[Zr+4] |
|---|
| InChI | InChI=1S/2C14H15.C4H8Si.2ClH.Zr/c2*1-10-5-4-6-13(8-10)14-9-11(2)7-12(14)3;1-2-4-5-3-1;;;/h2*4-6,8-9,11H,1-3H3;1-4H2;2*1H;/q2*-1;;;;+4/p-2 |
|---|
| InChIKey | CSLDDIWCGYKTNG-UHFFFAOYSA-L |
|---|
| XLogP | 2.88 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 612.87 |
| LogP ≤ 5 | 2.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze CID 21261332 with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of CID 21261332?
The IUPAC name of CID 21261332 (CID 21261332) is not available.
What is the SMILES notation for CID 21261332?
The canonical SMILES for CID 21261332 is C1CC[Si]C1.CC1=[C-]C(C)C=C1c1cccc(C)c1.CC1=[C-]C(C)C=C1c1cccc(C)c1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 21261332?
The InChIKey is CSLDDIWCGYKTNG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H15.C4H8Si.2ClH.Zr/c2*1-10-5-4-6-13(8-10)14-9-11(2)7-12(14)3;1-2-4-5-3-1;;;/h2*4-6,8-9,11H,1-3H3;1-4H2;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 21261332?
CID 21261332 has a molecular weight of 612.87 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21261332 is sourced from PubChem (CID 21261332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).