About potassium 2-methylbut-1-en-3-yne
potassium 2-methylbut-1-en-3-yne (PubChem CID 10909509) has the molecular formula C5H5K
and a molecular weight of 104.19 g/mol. Its IUPAC name is potassium 2-methylbut-1-en-3-yne.
Molecular Properties
| Compound Name | potassium 2-methylbut-1-en-3-yne |
|---|
| PubChem CID | 10909509 |
|---|
| Molecular Formula | C5H5K |
|---|
| Molecular Weight | 104.19 g/mol |
|---|
| Exact Mass | 104.00 |
|---|
| IUPAC Name | potassium 2-methylbut-1-en-3-yne |
|---|
| SMILES | [C-]#CC(=C)C.[K+] |
|---|
| InChI | InChI=1S/C5H5.K/c1-4-5(2)3;/h2H2,3H3;/q-1;+1 |
|---|
| InChIKey | AXJJVDVPOKFISI-UHFFFAOYSA-N |
|---|
| XLogP | -1.84 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 6 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 104.19 |
| LogP ≤ 5 | -1.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Analyze potassium 2-methylbut-1-en-3-yne 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 potassium 2-methylbut-1-en-3-yne?
The IUPAC name of potassium 2-methylbut-1-en-3-yne (CID 10909509) is potassium 2-methylbut-1-en-3-yne.
What is the SMILES notation for potassium 2-methylbut-1-en-3-yne?
The canonical SMILES for potassium 2-methylbut-1-en-3-yne is [C-]#CC(=C)C.[K+].
What is the InChIKey of potassium 2-methylbut-1-en-3-yne?
The InChIKey is AXJJVDVPOKFISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.K/c1-4-5(2)3;/h2H2,3H3;/q-1;+1.
What are the key properties of potassium 2-methylbut-1-en-3-yne?
potassium 2-methylbut-1-en-3-yne has a molecular weight of 104.19 g/mol, XLogP of -1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methylbut-1-en-3-yne is sourced from PubChem (CID 10909509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).