tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane

C20H32BF3O3Si — CID 154595242

IUPACtert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane
SMILESCC1(C)OB(c2ccc(C(F)(F)F)cc2CO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C20H32BF3O3Si/c1-17(2,3)28(8,9)25-13-14-12-15(20(22,23)24)10-11-16(14)21-26-18(4,5)19(6,7)27-21/h10-12H,13H2,1-9H3
InChIKeyPZIRXVNONJLBOK-UHFFFAOYSA-N
MW416.37 g/mol
LogP5.53
Rot. Bonds4

About tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane

tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane (PubChem CID 154595242) has the molecular formula C20H32BF3O3Si and a molecular weight of 416.37 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane
PubChem CID154595242
Molecular FormulaC20H32BF3O3Si
Molecular Weight416.37 g/mol
Exact Mass416.22
IUPAC Nametert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane
SMILESCC1(C)OB(c2ccc(C(F)(F)F)cc2CO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C20H32BF3O3Si/c1-17(2,3)28(8,9)25-13-14-12-15(20(22,23)24)10-11-16(14)21-26-18(4,5)19(6,7)27-21/h10-12H,13H2,1-9H3
InChIKeyPZIRXVNONJLBOK-UHFFFAOYSA-N
XLogP5.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.37
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1,1,1,4,4,4-Hexafluoro-2-methyl-3-phenyl-3-trimethylsilyloxybutan-2-yl)oxy-trimethylsilane
CID 10526738
2,3-Diphenyl-2,3-bis(triethylsiloxy)hexafluorobutane
CID 12534368
3-(Trifluoromethyl)benzyl alcohol, tert-butyldimethylsilyl ether
CID 85937113
Diethyl-[[3-(trifluoromethyl)phenyl]methoxy]silane
CID 135001951
1,1-diethyl-5-(trifluoromethyl)-3H-2,1-benzoxasilole
CID 135001952
tert-Butyl((3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)dimethylsilane
CID 135023883
Tert-butyl-[[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane
CID 135023962
tert-butyl-[(1S,3R)-1-(4-fluorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane
CID 154713037
trimethyl-[5-(trifluoromethyl)-1-trimethylsilyl-3H-2,1-benzoxasilol-1-yl]silane
CID 164684946
[3-(Hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane
CID 101061508
tert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane
CID 11989532
Tert-butyl-dimethyl-(3,3,3-trifluoro-2-methoxy-2-phenylpropoxy)silane
CID 21576690

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane (CID 154595242) is tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane is CC1(C)OB(c2ccc(C(F)(F)F)cc2CO[Si](C)(C)C(C)(C)C)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane?
The InChIKey is PZIRXVNONJLBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32BF3O3Si/c1-17(2,3)28(8,9)25-13-14-12-15(20(22,23)24)10-11-16(14)21-26-18(4,5)19(6,7)27-21/h10-12H,13H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane?
tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane has a molecular weight of 416.37 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]methoxy]silane is sourced from PubChem (CID 154595242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).