About dioxotitanium
dioxotitanium (PubChem CID 26042) has the molecular formula O2Ti
and a molecular weight of 79.86 g/mol. Its IUPAC name is dioxotitanium.
Molecular Properties
| Compound Name | dioxotitanium |
|---|
| PubChem CID | 26042 |
|---|
| Molecular Formula | O2Ti |
|---|
| Molecular Weight | 79.86 g/mol |
|---|
| Exact Mass | 79.94 |
|---|
| IUPAC Name | dioxotitanium |
|---|
| SMILES | O=[Ti]=O |
|---|
| InChI | InChI=1S/2O.Ti |
|---|
| InChIKey | GWEVSGVZZGPLCZ-UHFFFAOYSA-N |
|---|
| XLogP | -0.24 |
|---|
| TPSA | 34.14 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 3 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 79.86 |
| LogP ≤ 5 | -0.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of dioxotitanium?
The IUPAC name of dioxotitanium (CID 26042) is dioxotitanium.
What is the SMILES notation for dioxotitanium?
The canonical SMILES for dioxotitanium is O=[Ti]=O.
What is the InChIKey of dioxotitanium?
The InChIKey is GWEVSGVZZGPLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2O.Ti.
What are the key properties of dioxotitanium?
dioxotitanium has a molecular weight of 79.86 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dioxotitanium is sourced from PubChem (CID 26042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).