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

C23H45B3O6Si — CID 132917900

IUPACtrimethyl-[1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane
SMILESCC1(C)OB(C(B2OC(C)(C)C(C)(C)O2)=C(B2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C23H45B3O6Si/c1-18(2)19(3,4)28-24(27-18)16(25-29-20(5,6)21(7,8)30-25)17(33(13,14)15)26-31-22(9,10)23(11,12)32-26/h1-15H3
InChIKeyBMWFQWAFBRSDRD-UHFFFAOYSA-N
MW478.13 g/mol
LogP5.05
Rot. Bonds4

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

trimethyl-[1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane (PubChem CID 132917900) has the molecular formula C23H45B3O6Si and a molecular weight of 478.13 g/mol. Its IUPAC name is trimethyl-[1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane.

Molecular Properties

Compound Nametrimethyl-[1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane
PubChem CID132917900
Molecular FormulaC23H45B3O6Si
Molecular Weight478.13 g/mol
Exact Mass478.33
IUPAC Nametrimethyl-[1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane
SMILESCC1(C)OB(C(B2OC(C)(C)C(C)(C)O2)=C(B2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C23H45B3O6Si/c1-18(2)19(3,4)28-24(27-18)16(25-29-20(5,6)21(7,8)30-25)17(33(13,14)15)26-31-22(9,10)23(11,12)32-26/h1-15H3
InChIKeyBMWFQWAFBRSDRD-UHFFFAOYSA-N
XLogP5.05
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.13
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 trimethyl-[1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane?
The IUPAC name of trimethyl-[1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane (CID 132917900) is trimethyl-[1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane.
What is the SMILES notation for trimethyl-[1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane?
The canonical SMILES for trimethyl-[1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane is CC1(C)OB(C(B2OC(C)(C)C(C)(C)O2)=C(B2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)OC1(C)C.
What is the InChIKey of trimethyl-[1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane?
The InChIKey is BMWFQWAFBRSDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45B3O6Si/c1-18(2)19(3,4)28-24(27-18)16(25-29-20(5,6)21(7,8)30-25)17(33(13,14)15)26-31-22(9,10)23(11,12)32-26/h1-15H3.
What are the key properties of trimethyl-[1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane?
trimethyl-[1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane has a molecular weight of 478.13 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1,2,2-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]silane is sourced from PubChem (CID 132917900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).