About tert-butyl(dimethyl)phosphane
tert-butyl(dimethyl)phosphane (PubChem CID 11355502) has the molecular formula C6H15P
and a molecular weight of 118.16 g/mol. Its IUPAC name is tert-butyl(dimethyl)phosphane.
Molecular Properties
| Compound Name | tert-butyl(dimethyl)phosphane |
| PubChem CID | 11355502 |
| Molecular Formula | C6H15P |
| Molecular Weight | 118.16 g/mol |
| Exact Mass | 118.09 |
| IUPAC Name | tert-butyl(dimethyl)phosphane |
| SMILES | CP(C)C(C)(C)C |
| InChI | InChI=1S/C6H15P/c1-6(2,3)7(4)5/h1-5H3 |
| InChIKey | ZBTYGZQHPMJJFS-UHFFFAOYSA-N |
| XLogP | 2.53 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | |
| Heavy Atoms | 7 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 118.16 |
| LogP ≤ 5 | 2.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|
Analyze tert-butyl(dimethyl)phosphane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of tert-butyl(dimethyl)phosphane?
The IUPAC name of tert-butyl(dimethyl)phosphane (CID 11355502) is tert-butyl(dimethyl)phosphane.
What is the SMILES notation for tert-butyl(dimethyl)phosphane?
The canonical SMILES for tert-butyl(dimethyl)phosphane is CP(C)C(C)(C)C.
What is the InChIKey of tert-butyl(dimethyl)phosphane?
The InChIKey is ZBTYGZQHPMJJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15P/c1-6(2,3)7(4)5/h1-5H3.
What are the key properties of tert-butyl(dimethyl)phosphane?
tert-butyl(dimethyl)phosphane has a molecular weight of 118.16 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(dimethyl)phosphane is sourced from PubChem (CID 11355502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).