dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane

C23H28BF3O2Si — CID 135062402

IUPACdimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane
SMILESCC1(C)OB(/C(=C\[Si](C)(C)c2ccccc2)c2ccc(C(F)(F)F)cc2)OC1(C)C
InChIInChI=1S/C23H28BF3O2Si/c1-21(2)22(3,4)29-24(28-21)20(16-30(5,6)19-10-8-7-9-11-19)17-12-14-18(15-13-17)23(25,26)27/h7-16H,1-6H3/b20-16-
InChIKeyXKRVRGWGGPRREN-SILNSSARSA-N
MW432.37 g/mol
LogP5.88
Rot. Bonds4

About dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane

dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane (PubChem CID 135062402) has the molecular formula C23H28BF3O2Si and a molecular weight of 432.37 g/mol. Its IUPAC name is dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane
PubChem CID135062402
Molecular FormulaC23H28BF3O2Si
Molecular Weight432.37 g/mol
Exact Mass432.19
IUPAC Namedimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane
SMILESCC1(C)OB(/C(=C\[Si](C)(C)c2ccccc2)c2ccc(C(F)(F)F)cc2)OC1(C)C
InChIInChI=1S/C23H28BF3O2Si/c1-21(2)22(3,4)29-24(28-21)20(16-30(5,6)19-10-8-7-9-11-19)17-12-14-18(15-13-17)23(25,26)27/h7-16H,1-6H3/b20-16-
InChIKeyXKRVRGWGGPRREN-SILNSSARSA-N
XLogP5.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.37
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane?
The IUPAC name of dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane (CID 135062402) is dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane.
What is the SMILES notation for dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane?
The canonical SMILES for dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane is CC1(C)OB(/C(=C\[Si](C)(C)c2ccccc2)c2ccc(C(F)(F)F)cc2)OC1(C)C.
What is the InChIKey of dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane?
The InChIKey is XKRVRGWGGPRREN-SILNSSARSA-N. The full InChI is InChI=1S/C23H28BF3O2Si/c1-21(2)22(3,4)29-24(28-21)20(16-30(5,6)19-10-8-7-9-11-19)17-12-14-18(15-13-17)23(25,26)27/h7-16H,1-6H3/b20-16-.
What are the key properties of dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane?
dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane has a molecular weight of 432.37 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane is sourced from PubChem (CID 135062402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).