About [bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilyl]oxy-bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilane
[bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilyl]oxy-bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilane (PubChem CID 22340667) has the molecular formula C26H66O9Si6
and a molecular weight of 691.32 g/mol. Its IUPAC name is [bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilyl]oxy-bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilane.
Molecular Properties
| Compound Name | [bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilyl]oxy-bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilane |
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| PubChem CID | 22340667 |
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| Molecular Formula | C26H66O9Si6 |
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| Molecular Weight | 691.32 g/mol |
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| Exact Mass | 690.33 |
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| IUPAC Name | [bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilyl]oxy-bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilane |
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| SMILES | CCC(C)O[Si](C)(C)O[Si](C)(O[Si](C)(C)OC(C)CC)O[Si](C)(O[Si](C)(C)OC(C)CC)O[Si](C)(C)OC(C)CC |
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| InChI | InChI=1S/C26H66O9Si6/c1-19-23(5)27-36(9,10)31-40(17,32-37(11,12)28-24(6)20-2)35-41(18,33-38(13,14)29-25(7)21-3)34-39(15,16)30-26(8)22-4/h23-26H,19-22H2,1-18H3 |
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| InChIKey | LHIBODXIFHMTFI-UHFFFAOYSA-N |
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| XLogP | 8.27 |
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| TPSA | 83.07 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 22 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 691.32 |
| LogP ≤ 5 | 8.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilyl]oxy-bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilane?
The IUPAC name of [bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilyl]oxy-bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilane (CID 22340667) is [bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilyl]oxy-bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilane.
What is the SMILES notation for [bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilyl]oxy-bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilane?
The canonical SMILES for [bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilyl]oxy-bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilane is CCC(C)O[Si](C)(C)O[Si](C)(O[Si](C)(C)OC(C)CC)O[Si](C)(O[Si](C)(C)OC(C)CC)O[Si](C)(C)OC(C)CC.
What is the InChIKey of [bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilyl]oxy-bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilane?
The InChIKey is LHIBODXIFHMTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H66O9Si6/c1-19-23(5)27-36(9,10)31-40(17,32-37(11,12)28-24(6)20-2)35-41(18,33-38(13,14)29-25(7)21-3)34-39(15,16)30-26(8)22-4/h23-26H,19-22H2,1-18H3.
What are the key properties of [bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilyl]oxy-bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilane?
[bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilyl]oxy-bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilane has a molecular weight of 691.32 g/mol, XLogP of 8.27, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilyl]oxy-bis[[butan-2-yloxy(dimethyl)silyl]oxy]-methylsilane is sourced from PubChem (CID 22340667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).