ditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane

C24H54F2O2Si2Sn — CID 16709472

IUPACditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane
SMILESCC(C)(C)[Si](F)(O[Sn](O[Si](F)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/2C8H18FOSi.2C4H9.Sn/c2*1-7(2,3)11(9,10)8(4,5)6;2*1-4(2)3;/h2*1-6H3;2*1-3H3;/q2*-1;;;+2
InChIKeyDFXCIGBVOCJEEQ-UHFFFAOYSA-N
MW587.57 g/mol
LogP10.09
Rot. Bonds4

About ditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane

ditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane (PubChem CID 16709472) has the molecular formula C24H54F2O2Si2Sn and a molecular weight of 587.57 g/mol. Its IUPAC name is ditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane.

Molecular Properties

Compound Nameditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane
PubChem CID16709472
Molecular FormulaC24H54F2O2Si2Sn
Molecular Weight587.57 g/mol
Exact Mass588.27
IUPAC Nameditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane
SMILESCC(C)(C)[Si](F)(O[Sn](O[Si](F)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/2C8H18FOSi.2C4H9.Sn/c2*1-7(2,3)11(9,10)8(4,5)6;2*1-4(2)3;/h2*1-6H3;2*1-3H3;/q2*-1;;;+2
InChIKeyDFXCIGBVOCJEEQ-UHFFFAOYSA-N
XLogP10.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.57
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane?
The IUPAC name of ditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane (CID 16709472) is ditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane.
What is the SMILES notation for ditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane?
The canonical SMILES for ditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane is CC(C)(C)[Si](F)(O[Sn](O[Si](F)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane?
The InChIKey is DFXCIGBVOCJEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18FOSi.2C4H9.Sn/c2*1-7(2,3)11(9,10)8(4,5)6;2*1-4(2)3;/h2*1-6H3;2*1-3H3;/q2*-1;;;+2.
What are the key properties of ditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane?
ditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane has a molecular weight of 587.57 g/mol, XLogP of 10.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[ditert-butyl-[ditert-butyl(fluoro)silyl]oxystannyl]oxy-fluorosilane is sourced from PubChem (CID 16709472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).