About dodecylphosphane
dodecylphosphane (PubChem CID 11367685) has the molecular formula C12H27P
and a molecular weight of 202.32 g/mol. Its IUPAC name is dodecylphosphane.
Molecular Properties
| Compound Name | dodecylphosphane |
|---|
| PubChem CID | 11367685 |
|---|
| Molecular Formula | C12H27P |
|---|
| Molecular Weight | 202.32 g/mol |
|---|
| Exact Mass | 202.19 |
|---|
| IUPAC Name | dodecylphosphane |
|---|
| SMILES | CCCCCCCCCCCCP |
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| InChI | InChI=1S/C12H27P/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3 |
|---|
| InChIKey | AAKDVDDBABPPKC-UHFFFAOYSA-N |
|---|
| XLogP | 4.78 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 13 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 202.32 |
| LogP ≤ 5 | 4.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of dodecylphosphane?
The IUPAC name of dodecylphosphane (CID 11367685) is dodecylphosphane.
What is the SMILES notation for dodecylphosphane?
The canonical SMILES for dodecylphosphane is CCCCCCCCCCCCP.
What is the InChIKey of dodecylphosphane?
The InChIKey is AAKDVDDBABPPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3.
What are the key properties of dodecylphosphane?
dodecylphosphane has a molecular weight of 202.32 g/mol, XLogP of 4.78, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylphosphane is sourced from PubChem (CID 11367685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).