About tris(cyclooctatetraene);titanium
tris(cyclooctatetraene);titanium (PubChem CID 159297596) has the molecular formula C24H24Ti2
and a molecular weight of 408.19 g/mol. Its IUPAC name is tris(cyclooctatetraene);titanium.
Molecular Properties
| Compound Name | tris(cyclooctatetraene);titanium |
|---|
| PubChem CID | 159297596 |
|---|
| Molecular Formula | C24H24Ti2 |
|---|
| Molecular Weight | 408.19 g/mol |
|---|
| Exact Mass | 408.08 |
|---|
| IUPAC Name | tris(cyclooctatetraene);titanium |
|---|
| SMILES | C1=CC=CC=CC=C1.C1=CC=CC=CC=C1.C1=CC=CC=CC=C1.[Ti].[Ti] |
|---|
| InChI | InChI=1S/3C8H8.2Ti/c3*1-2-4-6-8-7-5-3-1;;/h3*1-8H;; |
|---|
| InChIKey | LAXQRXAXGJFQJS-UHFFFAOYSA-N |
|---|
| XLogP | 6.67 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 26 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 408.19 |
| LogP ≤ 5 | 6.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of tris(cyclooctatetraene);titanium?
The IUPAC name of tris(cyclooctatetraene);titanium (CID 159297596) is tris(cyclooctatetraene);titanium.
What is the SMILES notation for tris(cyclooctatetraene);titanium?
The canonical SMILES for tris(cyclooctatetraene);titanium is C1=CC=CC=CC=C1.C1=CC=CC=CC=C1.C1=CC=CC=CC=C1.[Ti].[Ti].
What is the InChIKey of tris(cyclooctatetraene);titanium?
The InChIKey is LAXQRXAXGJFQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H8.2Ti/c3*1-2-4-6-8-7-5-3-1;;/h3*1-8H;;.
What are the key properties of tris(cyclooctatetraene);titanium?
tris(cyclooctatetraene);titanium has a molecular weight of 408.19 g/mol, XLogP of 6.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cyclooctatetraene);titanium is sourced from PubChem (CID 159297596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).