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

C24H30BF3O2Si — CID 102219410

IUPACtrimethyl-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane
SMILESCC1(C)OB(/C(=C(\c2ccccc2)[Si](C)(C)C)c2ccc(C(F)(F)F)cc2)OC1(C)C
InChIInChI=1S/C24H30BF3O2Si/c1-22(2)23(3,4)30-25(29-22)20(17-13-15-19(16-14-17)24(26,27)28)21(31(5,6)7)18-11-9-8-10-12-18/h8-16H,1-7H3/b21-20+
InChIKeyXVPOFTOCBLVWPM-QZQOTICOSA-N
MW446.39 g/mol
LogP7.12
Rot. Bonds4

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

trimethyl-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane (PubChem CID 102219410) has the molecular formula C24H30BF3O2Si and a molecular weight of 446.39 g/mol. Its IUPAC name is trimethyl-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane.

Molecular Properties

Compound Nametrimethyl-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane
PubChem CID102219410
Molecular FormulaC24H30BF3O2Si
Molecular Weight446.39 g/mol
Exact Mass446.21
IUPAC Nametrimethyl-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane
SMILESCC1(C)OB(/C(=C(\c2ccccc2)[Si](C)(C)C)c2ccc(C(F)(F)F)cc2)OC1(C)C
InChIInChI=1S/C24H30BF3O2Si/c1-22(2)23(3,4)30-25(29-22)20(17-13-15-19(16-14-17)24(26,27)28)21(31(5,6)7)18-11-9-8-10-12-18/h8-16H,1-7H3/b21-20+
InChIKeyXVPOFTOCBLVWPM-QZQOTICOSA-N
XLogP7.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.39
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane?
The IUPAC name of trimethyl-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane (CID 102219410) is trimethyl-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane.
What is the SMILES notation for trimethyl-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane?
The canonical SMILES for trimethyl-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane is CC1(C)OB(/C(=C(\c2ccccc2)[Si](C)(C)C)c2ccc(C(F)(F)F)cc2)OC1(C)C.
What is the InChIKey of trimethyl-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane?
The InChIKey is XVPOFTOCBLVWPM-QZQOTICOSA-N. The full InChI is InChI=1S/C24H30BF3O2Si/c1-22(2)23(3,4)30-25(29-22)20(17-13-15-19(16-14-17)24(26,27)28)21(31(5,6)7)18-11-9-8-10-12-18/h8-16H,1-7H3/b21-20+.
What are the key properties of trimethyl-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane?
trimethyl-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane has a molecular weight of 446.39 g/mol, XLogP of 7.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(Z)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane is sourced from PubChem (CID 102219410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).