About methane;methylphosphane
methane;methylphosphane (PubChem CID 157096694) has the molecular formula C43H173P
and a molecular weight of 721.83 g/mol. Its IUPAC name is methane;methylphosphane.
Molecular Properties
| Compound Name | methane;methylphosphane |
|---|
| PubChem CID | 157096694 |
|---|
| Molecular Formula | C43H173P |
|---|
| Molecular Weight | 721.83 g/mol |
|---|
| Exact Mass | 721.33 |
|---|
| IUPAC Name | methane;methylphosphane |
|---|
| SMILES | C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CP |
|---|
| InChI | InChI=1S/CH5P.42CH4/c1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2H2,1H3;42*1H4 |
|---|
| InChIKey | AFHFYDMLFKSTFI-UHFFFAOYSA-N |
|---|
| XLogP | 27.21 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 44 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 721.83 |
| LogP ≤ 5 | 27.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of methane;methylphosphane?
The IUPAC name of methane;methylphosphane (CID 157096694) is methane;methylphosphane.
What is the SMILES notation for methane;methylphosphane?
The canonical SMILES for methane;methylphosphane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CP.
What is the InChIKey of methane;methylphosphane?
The InChIKey is AFHFYDMLFKSTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5P.42CH4/c1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2H2,1H3;42*1H4.
What are the key properties of methane;methylphosphane?
methane;methylphosphane has a molecular weight of 721.83 g/mol, XLogP of 27.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methylphosphane is sourced from PubChem (CID 157096694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).