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

C24H30BF3O2Si — CID 135062630

IUPACdimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
SMILESCC1(C)OB(C(=Cc2ccc(C(F)(F)F)cc2)C[Si](C)(C)c2ccccc2)OC1(C)C
InChIInChI=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
InChIKeyGSTDLGYMCWLDBK-UHFFFAOYSA-N
MW446.39 g/mol
LogP6.34
Rot. Bonds5

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

dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane (PubChem CID 135062630) has the molecular formula C24H30BF3O2Si and a molecular weight of 446.39 g/mol. Its IUPAC name is dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane.

Molecular Properties

Compound Namedimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
PubChem CID135062630
Molecular FormulaC24H30BF3O2Si
Molecular Weight446.39 g/mol
Exact Mass446.21
IUPAC Namedimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
SMILESCC1(C)OB(C(=Cc2ccc(C(F)(F)F)cc2)C[Si](C)(C)c2ccccc2)OC1(C)C
InChIInChI=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
InChIKeyGSTDLGYMCWLDBK-UHFFFAOYSA-N
XLogP6.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.39
LogP ≤ 56.34
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-[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-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane (CID 135062630) is dimethyl-phenyl-[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-[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-[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(=Cc2ccc(C(F)(F)F)cc2)C[Si](C)(C)c2ccccc2)OC1(C)C.
What is the InChIKey of dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane?
The InChIKey is GSTDLGYMCWLDBK-UHFFFAOYSA-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.
What are the key properties of dimethyl-phenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane?
dimethyl-phenyl-[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-[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 135062630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).