About CID 173337608
CID 173337608 (PubChem CID 173337608) has the molecular formula C20H35Cl2GeZr
and a molecular weight of 510.24 g/mol.
Molecular Properties
| Compound Name | CID 173337608 |
|---|
| PubChem CID | 173337608 |
|---|
| Molecular Formula | C20H35Cl2GeZr |
|---|
| Molecular Weight | 510.24 g/mol |
|---|
| Exact Mass | 509.04 |
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| IUPAC Name | — |
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| SMILES | CC(C)(C)C1=[C-]CC=C1.CC(C)(C)C1=[C-]CC=C1.C[GeH]C.Cl.Cl.[Zr+2] |
|---|
| InChI | InChI=1S/2C9H13.C2H7Ge.2ClH.Zr/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*4,6H,5H2,1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;+2 |
|---|
| InChIKey | ZZXVYZKNLFOMNH-UHFFFAOYSA-N |
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| XLogP | 6.80 |
|---|
| 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 | 24 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 510.24 |
| LogP ≤ 5 | 6.80 |
| 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 173337608?
The IUPAC name of CID 173337608 (CID 173337608) is not available.
What is the SMILES notation for CID 173337608?
The canonical SMILES for CID 173337608 is CC(C)(C)C1=[C-]CC=C1.CC(C)(C)C1=[C-]CC=C1.C[GeH]C.Cl.Cl.[Zr+2].
What is the InChIKey of CID 173337608?
The InChIKey is ZZXVYZKNLFOMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13.C2H7Ge.2ClH.Zr/c2*1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2*4,6H,5H2,1-3H3;3H,1-2H3;2*1H;/q2*-1;;;;+2.
What are the key properties of CID 173337608?
CID 173337608 has a molecular weight of 510.24 g/mol, XLogP of 6.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173337608 is sourced from PubChem (CID 173337608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).