bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane

C16H34B2O4Si — CID 102497336

IUPACbis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane
SMILESCC1(C)OB(C(B2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C16H34B2O4Si/c1-13(2)14(3,4)20-17(19-13)12(23(9,10)11)18-21-15(5,6)16(7,8)22-18/h12H,1-11H3
InChIKeyIJGSEWTYRWXJFH-UHFFFAOYSA-N
MW340.15 g/mol
LogP3.96
Rot. Bonds3

About bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane

bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane (PubChem CID 102497336) has the molecular formula C16H34B2O4Si and a molecular weight of 340.15 g/mol. Its IUPAC name is bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane.

Molecular Properties

Compound Namebis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane
PubChem CID102497336
Molecular FormulaC16H34B2O4Si
Molecular Weight340.15 g/mol
Exact Mass340.24
IUPAC Namebis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane
SMILESCC1(C)OB(C(B2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C16H34B2O4Si/c1-13(2)14(3,4)20-17(19-13)12(23(9,10)11)18-21-15(5,6)16(7,8)22-18/h12H,1-11H3
InChIKeyIJGSEWTYRWXJFH-UHFFFAOYSA-N
XLogP3.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane?
The IUPAC name of bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane (CID 102497336) is bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane.
What is the SMILES notation for bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane?
The canonical SMILES for bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane is CC1(C)OB(C(B2OC(C)(C)C(C)(C)O2)[Si](C)(C)C)OC1(C)C.
What is the InChIKey of bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane?
The InChIKey is IJGSEWTYRWXJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34B2O4Si/c1-13(2)14(3,4)20-17(19-13)12(23(9,10)11)18-21-15(5,6)16(7,8)22-18/h12H,1-11H3.
What are the key properties of bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane?
bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane has a molecular weight of 340.15 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl-trimethylsilane is sourced from PubChem (CID 102497336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).