ditert-butyl-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane

C21H39FOSi2 — CID 154663812

IUPACditert-butyl-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc([Si](F)(C(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C21H39FOSi2/c1-19(2,3)24(10,11)23-16-17-12-14-18(15-13-17)25(22,20(4,5)6)21(7,8)9/h12-15H,16H2,1-11H3
InChIKeyADDUWCIPBPRNKM-UHFFFAOYSA-N
MW382.71 g/mol
LogP6.93
Rot. Bonds4

About ditert-butyl-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane

ditert-butyl-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane (PubChem CID 154663812) has the molecular formula C21H39FOSi2 and a molecular weight of 382.71 g/mol. Its IUPAC name is ditert-butyl-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane.

Molecular Properties

Compound Nameditert-butyl-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane
PubChem CID154663812
Molecular FormulaC21H39FOSi2
Molecular Weight382.71 g/mol
Exact Mass382.25
IUPAC Nameditert-butyl-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccc([Si](F)(C(C)(C)C)C(C)(C)C)cc1
InChIInChI=1S/C21H39FOSi2/c1-19(2,3)24(10,11)23-16-17-12-14-18(15-13-17)25(22,20(4,5)6)21(7,8)9/h12-15H,16H2,1-11H3
InChIKeyADDUWCIPBPRNKM-UHFFFAOYSA-N
XLogP6.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.71
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane?
The IUPAC name of ditert-butyl-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane (CID 154663812) is ditert-butyl-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane.
What is the SMILES notation for ditert-butyl-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane?
The canonical SMILES for ditert-butyl-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane is CC(C)(C)[Si](C)(C)OCc1ccc([Si](F)(C(C)(C)C)C(C)(C)C)cc1.
What is the InChIKey of ditert-butyl-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane?
The InChIKey is ADDUWCIPBPRNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39FOSi2/c1-19(2,3)24(10,11)23-16-17-12-14-18(15-13-17)25(22,20(4,5)6)21(7,8)9/h12-15H,16H2,1-11H3.
What are the key properties of ditert-butyl-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane?
ditert-butyl-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane has a molecular weight of 382.71 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-fluorosilane is sourced from PubChem (CID 154663812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).