About [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane
[4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane (PubChem CID 101222737) has the molecular formula C24H42O4Si2
and a molecular weight of 450.77 g/mol. Its IUPAC name is [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane.
Molecular Properties
| Compound Name | [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane |
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| PubChem CID | 101222737 |
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| Molecular Formula | C24H42O4Si2 |
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| Molecular Weight | 450.77 g/mol |
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| Exact Mass | 450.26 |
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| IUPAC Name | [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane |
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| SMILES | CC1(COCCC[Si](C)(C)c2ccc([Si](C)(C)CCCOCC3(C)CO3)cc2)CO1 |
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| InChI | InChI=1S/C24H42O4Si2/c1-23(19-27-23)17-25-13-7-15-29(3,4)21-9-11-22(12-10-21)30(5,6)16-8-14-26-18-24(2)20-28-24/h9-12H,7-8,13-20H2,1-6H3 |
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| InChIKey | ULINHNQMOOPKSA-UHFFFAOYSA-N |
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| XLogP | 3.91 |
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| TPSA | 43.52 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 30 |
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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 | 450.77 |
| LogP ≤ 5 | 3.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane?
The IUPAC name of [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane (CID 101222737) is [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane.
What is the SMILES notation for [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane?
The canonical SMILES for [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane is CC1(COCCC[Si](C)(C)c2ccc([Si](C)(C)CCCOCC3(C)CO3)cc2)CO1.
What is the InChIKey of [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane?
The InChIKey is ULINHNQMOOPKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O4Si2/c1-23(19-27-23)17-25-13-7-15-29(3,4)21-9-11-22(12-10-21)30(5,6)16-8-14-26-18-24(2)20-28-24/h9-12H,7-8,13-20H2,1-6H3.
What are the key properties of [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane?
[4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane has a molecular weight of 450.77 g/mol, XLogP of 3.91, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silyl]phenyl]-dimethyl-[3-[(2-methyloxiran-2-yl)methoxy]propyl]silane is sourced from PubChem (CID 101222737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).