4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine

C16H35B2NO4Si — CID 102587208

IUPAC4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine
SMILESCC1(C)OB(N(C[Si](C)(C)C)B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C16H35B2NO4Si/c1-13(2)14(3,4)21-17(20-13)19(12-24(9,10)11)18-22-15(5,6)16(7,8)23-18/h12H2,1-11H3
InChIKeyKLRAWRBVOWATTJ-UHFFFAOYSA-N
MW355.17 g/mol
LogP3.34
Rot. Bonds4

About 4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine

4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine (PubChem CID 102587208) has the molecular formula C16H35B2NO4Si and a molecular weight of 355.17 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine
PubChem CID102587208
Molecular FormulaC16H35B2NO4Si
Molecular Weight355.17 g/mol
Exact Mass355.25
IUPAC Name4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine
SMILESCC1(C)OB(N(C[Si](C)(C)C)B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C16H35B2NO4Si/c1-13(2)14(3,4)21-17(20-13)19(12-24(9,10)11)18-22-15(5,6)16(7,8)23-18/h12H2,1-11H3
InChIKeyKLRAWRBVOWATTJ-UHFFFAOYSA-N
XLogP3.34
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.17
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine?
The IUPAC name of 4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine (CID 102587208) is 4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine.
What is the SMILES notation for 4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine?
The canonical SMILES for 4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine is CC1(C)OB(N(C[Si](C)(C)C)B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine?
The InChIKey is KLRAWRBVOWATTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35B2NO4Si/c1-13(2)14(3,4)21-17(20-13)19(12-24(9,10)11)18-22-15(5,6)16(7,8)23-18/h12H2,1-11H3.
What are the key properties of 4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine?
4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine has a molecular weight of 355.17 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine is sourced from PubChem (CID 102587208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).