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

C24H30BF3O2Si — CID 134904548

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

dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane (PubChem CID 134904548) has the molecular formula C24H30BF3O2Si and a molecular weight of 446.39 g/mol. Its IUPAC name is dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane.

Molecular Properties

• Compound Name: dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
• PubChem CID: 134904548
• Molecular Formula: C24H30BF3O2Si
• Molecular Weight: 446.39 g/mol
• Exact Mass: 446.21
• IUPAC Name: dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
• SMILES: CC1(C)OB(/C(=C\c2ccc(C(F)(F)F)cc2)C[Si](C)(C)c2ccccc2)OC1(C)C
• InChI: InChI=1S/C24H30BF3O2Si/c1-22(2)23(3,4)30-25(29-22)20(17-31(5,6)21-10-8-7-9-11-21)16-18-12-14-19(15-13-18)24(26,27)28/h7-16H,17H2,1-6H3/b20-16-
• InChIKey: GSTDLGYMCWLDBK-SILNSSARSA-N
• XLogP: 6.34
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.39
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane?

The IUPAC name of dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane (CID 134904548) is dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane.

What is the SMILES notation for dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane?

The canonical SMILES for dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane is CC1(C)OB(/C(=C\c2ccc(C(F)(F)F)cc2)C[Si](C)(C)c2ccccc2)OC1(C)C.

What is the InChIKey of dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane?

The InChIKey is GSTDLGYMCWLDBK-SILNSSARSA-N. The full InChI is InChI=1S/C24H30BF3O2Si/c1-22(2)23(3,4)30-25(29-22)20(17-31(5,6)21-10-8-7-9-11-21)16-18-12-14-19(15-13-18)24(26,27)28/h7-16H,17H2,1-6H3/b20-16-.

What are the key properties of dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane?

dimethyl-phenyl-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane has a molecular weight of 446.39 g/mol, XLogP of 6.34, 5 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)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane is sourced from PubChem (CID 134904548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).