About butane;methane;triethoxy(propyl)silane;trimethyl-[[[[[[[[methyl(oxo)silyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silane;trimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(trimethylsilyloxy)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silane
butane;methane;triethoxy(propyl)silane;trimethyl-[[[[[[[[methyl(oxo)silyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silane;trimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(trimethylsilyloxy)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silane (PubChem CID 159574993) has the molecular formula C33H102O27Si27
and a molecular weight of 1689.47 g/mol. Its IUPAC name is butane;methane;triethoxy(propyl)silane;trimethyl-[[[[[[[[methyl(oxo)silyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silane;trimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(trimethylsilyloxy)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silane.
Molecular Properties
| Compound Name | butane;methane;triethoxy(propyl)silane;trimethyl-[[[[[[[[methyl(oxo)silyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silane;trimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(trimethylsilyloxy)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silane |
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| PubChem CID | 159574993 |
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| Molecular Formula | C33H102O27Si27 |
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| Molecular Weight | 1689.47 g/mol |
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| Exact Mass | 1686.04 |
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| IUPAC Name | butane;methane;triethoxy(propyl)silane;trimethyl-[[[[[[[[methyl(oxo)silyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silane;trimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(trimethylsilyloxy)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silane |
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| SMILES | C.C.C.C.C.C.C.C.C.C.CCCC.CCC[Si](OCC)(OCC)OCC.C[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](C)(C)C.C[Si](C)(C)O[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](C)(C)C |
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| InChI | InChI=1S/C9H22O3Si.C6H18O16Si17.C4H12O8Si9.C4H10.10CH4/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-38(2,3)22-23(7)24(8)25(9)26(10)27(11)28(12)29(13)30(14)31(15)32(16)33(17)34(18)35(19)36(20)37(21)39(4,5)6;1-13(5)14(6)15(7)16(8)17(9)18(10)19(11)20(12)21(2,3)4;1-3-4-2;;;;;;;;;;/h5-9H2,1-4H3;1-6H3;1-4H3;3-4H2,1-2H3;10*1H4 |
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| InChIKey | MIHDZSXHQVYPSZ-UHFFFAOYSA-N |
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| XLogP | 3.75 |
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| TPSA | 429.53 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 27 |
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| Rotatable Bonds | 34 |
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| Heavy Atoms | 87 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1689.47 |
| LogP ≤ 5 | 3.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Analyze butane;methane;triethoxy(propyl)silane;trimethyl-[[[[[[[[methyl(oxo)silyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silane;trimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(trimethylsilyloxy)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silane with MolForge
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Frequently Asked Questions
What is the IUPAC name of butane;methane;triethoxy(propyl)silane;trimethyl-[[[[[[[[methyl(oxo)silyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silane;trimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(trimethylsilyloxy)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silane?
The IUPAC name of butane;methane;triethoxy(propyl)silane;trimethyl-[[[[[[[[methyl(oxo)silyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silane;trimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(trimethylsilyloxy)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silane (CID 159574993) is butane;methane;triethoxy(propyl)silane;trimethyl-[[[[[[[[methyl(oxo)silyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silane;trimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(trimethylsilyloxy)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silane.
What is the SMILES notation for butane;methane;triethoxy(propyl)silane;trimethyl-[[[[[[[[methyl(oxo)silyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silane;trimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(trimethylsilyloxy)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silane?
The canonical SMILES for butane;methane;triethoxy(propyl)silane;trimethyl-[[[[[[[[methyl(oxo)silyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silane;trimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(trimethylsilyloxy)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silane is C.C.C.C.C.C.C.C.C.C.CCCC.CCC[Si](OCC)(OCC)OCC.C[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](C)(C)C.C[Si](C)(C)O[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](C)(C)C.
What is the InChIKey of butane;methane;triethoxy(propyl)silane;trimethyl-[[[[[[[[methyl(oxo)silyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silane;trimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(trimethylsilyloxy)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silane?
The InChIKey is MIHDZSXHQVYPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3Si.C6H18O16Si17.C4H12O8Si9.C4H10.10CH4/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-38(2,3)22-23(7)24(8)25(9)26(10)27(11)28(12)29(13)30(14)31(15)32(16)33(17)34(18)35(19)36(20)37(21)39(4,5)6;1-13(5)14(6)15(7)16(8)17(9)18(10)19(11)20(12)21(2,3)4;1-3-4-2;;;;;;;;;;/h5-9H2,1-4H3;1-6H3;1-4H3;3-4H2,1-2H3;10*1H4.
What are the key properties of butane;methane;triethoxy(propyl)silane;trimethyl-[[[[[[[[methyl(oxo)silyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silane;trimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(trimethylsilyloxy)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silane?
butane;methane;triethoxy(propyl)silane;trimethyl-[[[[[[[[methyl(oxo)silyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silane;trimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(trimethylsilyloxy)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silane has a molecular weight of 1689.47 g/mol, XLogP of 3.75, 34 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methane;triethoxy(propyl)silane;trimethyl-[[[[[[[[methyl(oxo)silyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]-oxosilyl]silane;trimethyl-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo-[oxo(trimethylsilyloxy)silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silyl]silane is sourced from PubChem (CID 159574993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).