About but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum
but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum (PubChem CID 158585554) has the molecular formula C21H48ClF2N3PtSi3
and a molecular weight of 695.42 g/mol. Its IUPAC name is but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum.
Molecular Properties
| Compound Name | but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum |
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| PubChem CID | 158585554 |
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| Molecular Formula | C21H48ClF2N3PtSi3 |
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| Molecular Weight | 695.42 g/mol |
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| Exact Mass | 694.25 |
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| IUPAC Name | but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum |
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| SMILES | C.C.C.C=CCC#N.CC(CC#N)[Si](C)(C)F.C[SiH](C)Cl.C[Si](C)(F)CCCC#N.[Pt] |
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| InChI | InChI=1S/2C6H12FNSi.C4H5N.C2H7ClSi.3CH4.Pt/c1-6(4-5-8)9(2,3)7;1-9(2,7)6-4-3-5-8;1-2-3-4-5;1-4(2)3;;;;/h6H,4H2,1-3H3;3-4,6H2,1-2H3;2H,1,3H2;4H,1-2H3;3*1H4; |
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| InChIKey | HTTYCEXFAMKPJZ-UHFFFAOYSA-N |
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| XLogP | 9.13 |
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| TPSA | 71.37 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 695.42 |
| LogP ≤ 5 | 9.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum?
The IUPAC name of but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum (CID 158585554) is but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum.
What is the SMILES notation for but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum?
The canonical SMILES for but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum is C.C.C.C=CCC#N.CC(CC#N)[Si](C)(C)F.C[SiH](C)Cl.C[Si](C)(F)CCCC#N.[Pt].
What is the InChIKey of but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum?
The InChIKey is HTTYCEXFAMKPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12FNSi.C4H5N.C2H7ClSi.3CH4.Pt/c1-6(4-5-8)9(2,3)7;1-9(2,7)6-4-3-5-8;1-2-3-4-5;1-4(2)3;;;;/h6H,4H2,1-3H3;3-4,6H2,1-2H3;2H,1,3H2;4H,1-2H3;3*1H4;.
What are the key properties of but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum?
but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum has a molecular weight of 695.42 g/mol, XLogP of 9.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enenitrile;chloro(dimethyl)silane;3-[fluoro(dimethyl)silyl]butanenitrile;4-[fluoro(dimethyl)silyl]butanenitrile;methane;platinum is sourced from PubChem (CID 158585554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).