About carbanide;2-methylpropan-2-ol;titanium
carbanide;2-methylpropan-2-ol;titanium (PubChem CID 174438258) has the molecular formula C5H13OTi-
and a molecular weight of 137.02 g/mol. Its IUPAC name is carbanide;2-methylpropan-2-ol;titanium.
Molecular Properties
| Compound Name | carbanide;2-methylpropan-2-ol;titanium |
| PubChem CID | 174438258 |
| Molecular Formula | C5H13OTi- |
| Molecular Weight | 137.02 g/mol |
| Exact Mass | 137.05 |
| IUPAC Name | carbanide;2-methylpropan-2-ol;titanium |
| SMILES | CC(C)(C)O.[CH3-].[Ti] |
| InChI | InChI=1S/C4H10O.CH3.Ti/c1-4(2,3)5;;/h5H,1-3H3;1H3;/q;-1; |
| InChIKey | QEUWBTOWYPCVTC-UHFFFAOYSA-N |
| XLogP | 1.22 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | |
| Heavy Atoms | 7 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 137.02 |
| LogP ≤ 5 | 1.22 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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 carbanide;2-methylpropan-2-ol;titanium?
The IUPAC name of carbanide;2-methylpropan-2-ol;titanium (CID 174438258) is carbanide;2-methylpropan-2-ol;titanium.
What is the SMILES notation for carbanide;2-methylpropan-2-ol;titanium?
The canonical SMILES for carbanide;2-methylpropan-2-ol;titanium is CC(C)(C)O.[CH3-].[Ti].
What is the InChIKey of carbanide;2-methylpropan-2-ol;titanium?
The InChIKey is QEUWBTOWYPCVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.CH3.Ti/c1-4(2,3)5;;/h5H,1-3H3;1H3;/q;-1;.
What are the key properties of carbanide;2-methylpropan-2-ol;titanium?
carbanide;2-methylpropan-2-ol;titanium has a molecular weight of 137.02 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-methylpropan-2-ol;titanium is sourced from PubChem (CID 174438258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).