About [(E)-pent-3-en-2-ylidene]phosphane
[(E)-pent-3-en-2-ylidene]phosphane (PubChem CID 89175753) has the molecular formula C5H9P
and a molecular weight of 100.10 g/mol. Its IUPAC name is [(E)-pent-3-en-2-ylidene]phosphane.
Molecular Properties
| Compound Name | [(E)-pent-3-en-2-ylidene]phosphane |
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| PubChem CID | 89175753 |
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| Molecular Formula | C5H9P |
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| Molecular Weight | 100.10 g/mol |
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| Exact Mass | 100.04 |
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| IUPAC Name | [(E)-pent-3-en-2-ylidene]phosphane |
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| SMILES | [H]/P=C(C)/C=C/C |
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| InChI | InChI=1S/C5H9P/c1-3-4-5(2)6/h3-4,6H,1-2H3/b4-3+ |
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| InChIKey | QMADJFWDTRELAQ-ONEGZZNKSA-N |
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| XLogP | 1.90 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 100.10 |
| LogP ≤ 5 | 1.90 |
| 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 [(E)-pent-3-en-2-ylidene]phosphane?
The IUPAC name of [(E)-pent-3-en-2-ylidene]phosphane (CID 89175753) is [(E)-pent-3-en-2-ylidene]phosphane.
What is the SMILES notation for [(E)-pent-3-en-2-ylidene]phosphane?
The canonical SMILES for [(E)-pent-3-en-2-ylidene]phosphane is [H]/P=C(C)/C=C/C.
What is the InChIKey of [(E)-pent-3-en-2-ylidene]phosphane?
The InChIKey is QMADJFWDTRELAQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H9P/c1-3-4-5(2)6/h3-4,6H,1-2H3/b4-3+.
What are the key properties of [(E)-pent-3-en-2-ylidene]phosphane?
[(E)-pent-3-en-2-ylidene]phosphane has a molecular weight of 100.10 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-3-en-2-ylidene]phosphane is sourced from PubChem (CID 89175753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).