About butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane
butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane (PubChem CID 159148662) has the molecular formula C24H66O8P2Si4
and a molecular weight of 657.08 g/mol. Its IUPAC name is butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane.
Molecular Properties
| Compound Name | butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane |
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| PubChem CID | 159148662 |
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| Molecular Formula | C24H66O8P2Si4 |
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| Molecular Weight | 657.08 g/mol |
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| Exact Mass | 656.33 |
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| IUPAC Name | butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane |
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| SMILES | C.CCCC.CCOP(C)(C)=O.CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.C[Si](C)(C)OP(C)(C)=O.O=C=O |
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| InChI | InChI=1S/C9H26O2Si3.C5H15O2PSi.C4H11O2P.C4H10.CO2.CH4/c1-9-14(8,10-12(2,3)4)11-13(5,6)7;1-8(2,6)7-9(3,4)5;1-4-6-7(2,3)5;1-3-4-2;2-1-3;/h9H2,1-8H3;1-5H3;4H2,1-3H3;3-4H2,1-2H3;;1H4 |
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| InChIKey | KIZPKUPSOKWQNY-UHFFFAOYSA-N |
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| XLogP | 9.58 |
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| TPSA | 105.20 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 657.08 |
| LogP ≤ 5 | 9.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane?
The IUPAC name of butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane (CID 159148662) is butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane.
What is the SMILES notation for butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane?
The canonical SMILES for butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane is C.CCCC.CCOP(C)(C)=O.CC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.C[Si](C)(C)OP(C)(C)=O.O=C=O.
What is the InChIKey of butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane?
The InChIKey is KIZPKUPSOKWQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H26O2Si3.C5H15O2PSi.C4H11O2P.C4H10.CO2.CH4/c1-9-14(8,10-12(2,3)4)11-13(5,6)7;1-8(2,6)7-9(3,4)5;1-4-6-7(2,3)5;1-3-4-2;2-1-3;/h9H2,1-8H3;1-5H3;4H2,1-3H3;3-4H2,1-2H3;;1H4.
What are the key properties of butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane?
butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane has a molecular weight of 657.08 g/mol, XLogP of 9.58, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butane;carbon dioxide;1-dimethylphosphoryloxyethane;dimethylphosphoryloxy(trimethyl)silane;ethyl-methyl-bis(trimethylsilyloxy)silane;methane is sourced from PubChem (CID 159148662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).