tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane

C15H33BO3Si — CID 138980576

IUPACtert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
SMILESCC1(C)OB(CCCO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C15H33BO3Si/c1-13(2,3)20(8,9)17-12-10-11-16-18-14(4,5)15(6,7)19-16/h10-12H2,1-9H3
InChIKeyCAYIXFKUZPQYIJ-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.49
Rot. Bonds5

About tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane

tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane (PubChem CID 138980576) has the molecular formula C15H33BO3Si and a molecular weight of 300.32 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
PubChem CID138980576
Molecular FormulaC15H33BO3Si
Molecular Weight300.32 g/mol
Exact Mass300.23
IUPAC Nametert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane
SMILESCC1(C)OB(CCCO[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C15H33BO3Si/c1-13(2,3)20(8,9)17-12-10-11-16-18-14(4,5)15(6,7)19-16/h10-12H2,1-9H3
InChIKeyCAYIXFKUZPQYIJ-UHFFFAOYSA-N
XLogP4.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane (CID 138980576) is tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane is CC1(C)OB(CCCO[Si](C)(C)C(C)(C)C)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
The InChIKey is CAYIXFKUZPQYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33BO3Si/c1-13(2,3)20(8,9)17-12-10-11-16-18-14(4,5)15(6,7)19-16/h10-12H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane?
tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane has a molecular weight of 300.32 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propoxy]silane is sourced from PubChem (CID 138980576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).