About Thexylborane
Thexylborane (PubChem CID 10877414) has the molecular formula C6H13B
and a molecular weight of 95.98 g/mol.
Molecular Properties
| Compound Name | Thexylborane |
|---|
| PubChem CID | 10877414 |
|---|
| Molecular Formula | C6H13B |
|---|
| Molecular Weight | 95.98 g/mol |
|---|
| Exact Mass | 96.11 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [B]C(C)(C)C(C)C |
|---|
| InChI | InChI=1S/C6H13B/c1-5(2)6(3,4)7/h5H,1-4H3 |
|---|
| InChIKey | AAYWIXGLVAEPTP-UHFFFAOYSA-N |
|---|
| XLogP | 2.01 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 1 |
|---|
| Heavy Atoms | 7 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 95.98 |
| LogP ≤ 5 | 2.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of Thexylborane?
The IUPAC name of Thexylborane (CID 10877414) is not available.
What is the SMILES notation for Thexylborane?
The canonical SMILES for Thexylborane is [B]C(C)(C)C(C)C.
What is the InChIKey of Thexylborane?
The InChIKey is AAYWIXGLVAEPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13B/c1-5(2)6(3,4)7/h5H,1-4H3.
What are the key properties of Thexylborane?
Thexylborane has a molecular weight of 95.98 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Thexylborane is sourced from PubChem (CID 10877414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).