About [(E)-but-2-enyl]-dimethyl-methylidene-λ5-phosphane
[(E)-but-2-enyl]-dimethyl-methylidene-λ5-phosphane (PubChem CID 59123488) has the molecular formula C7H15P
and a molecular weight of 130.17 g/mol. Its IUPAC name is [(E)-but-2-enyl]-dimethyl-methylidene-λ5-phosphane.
Molecular Properties
| Compound Name | [(E)-but-2-enyl]-dimethyl-methylidene-λ5-phosphane |
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| PubChem CID | 59123488 |
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| Molecular Formula | C7H15P |
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| Molecular Weight | 130.17 g/mol |
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| Exact Mass | 130.09 |
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| IUPAC Name | [(E)-but-2-enyl]-dimethyl-methylidene-λ5-phosphane |
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| SMILES | C=P(C)(C)C/C=C/C |
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| InChI | InChI=1S/C7H15P/c1-5-6-7-8(2,3)4/h5-6H,2,7H2,1,3-4H3/b6-5+ |
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| InChIKey | NLGKCKYHRFMAIP-AATRIKPKSA-N |
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| XLogP | 2.27 |
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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 | 2 |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 130.17 |
| LogP ≤ 5 | 2.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(E)-but-2-enyl]-dimethyl-methylidene-λ5-phosphane?
The IUPAC name of [(E)-but-2-enyl]-dimethyl-methylidene-λ5-phosphane (CID 59123488) is [(E)-but-2-enyl]-dimethyl-methylidene-λ5-phosphane.
What is the SMILES notation for [(E)-but-2-enyl]-dimethyl-methylidene-λ5-phosphane?
The canonical SMILES for [(E)-but-2-enyl]-dimethyl-methylidene-λ5-phosphane is C=P(C)(C)C/C=C/C.
What is the InChIKey of [(E)-but-2-enyl]-dimethyl-methylidene-λ5-phosphane?
The InChIKey is NLGKCKYHRFMAIP-AATRIKPKSA-N. The full InChI is InChI=1S/C7H15P/c1-5-6-7-8(2,3)4/h5-6H,2,7H2,1,3-4H3/b6-5+.
What are the key properties of [(E)-but-2-enyl]-dimethyl-methylidene-λ5-phosphane?
[(E)-but-2-enyl]-dimethyl-methylidene-λ5-phosphane has a molecular weight of 130.17 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl]-dimethyl-methylidene-λ5-phosphane is sourced from PubChem (CID 59123488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).