About bis(cyclooctatetraene);thorium
bis(cyclooctatetraene);thorium (PubChem CID 171041251) has the molecular formula C16H16Th
and a molecular weight of 440.34 g/mol. Its IUPAC name is bis(cyclooctatetraene);thorium.
Molecular Properties
| Compound Name | bis(cyclooctatetraene);thorium |
|---|
| PubChem CID | 171041251 |
|---|
| Molecular Formula | C16H16Th |
|---|
| Molecular Weight | 440.34 g/mol |
|---|
| Exact Mass | 440.16 |
|---|
| IUPAC Name | bis(cyclooctatetraene);thorium |
|---|
| SMILES | C1=CC=CC=CC=C1.C1=CC=CC=CC=C1.[Th] |
|---|
| InChI | InChI=1S/2C8H8.Th/c2*1-2-4-6-8-7-5-3-1;/h2*1-8H; |
|---|
| InChIKey | TVFSWYGOYDHUHQ-UHFFFAOYSA-N |
|---|
| XLogP | 4.45 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 17 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 440.34 |
| LogP ≤ 5 | 4.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of bis(cyclooctatetraene);thorium?
The IUPAC name of bis(cyclooctatetraene);thorium (CID 171041251) is bis(cyclooctatetraene);thorium.
What is the SMILES notation for bis(cyclooctatetraene);thorium?
The canonical SMILES for bis(cyclooctatetraene);thorium is C1=CC=CC=CC=C1.C1=CC=CC=CC=C1.[Th].
What is the InChIKey of bis(cyclooctatetraene);thorium?
The InChIKey is TVFSWYGOYDHUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8.Th/c2*1-2-4-6-8-7-5-3-1;/h2*1-8H;.
What are the key properties of bis(cyclooctatetraene);thorium?
bis(cyclooctatetraene);thorium has a molecular weight of 440.34 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclooctatetraene);thorium is sourced from PubChem (CID 171041251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).