tert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane

C17H33BO3Si — CID 135079203

IUPACtert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane
SMILESCC(C)(C#CB1OC(C)(C)C(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33BO3Si/c1-14(2,3)22(10,11)21-15(4,5)12-13-18-19-16(6,7)17(8,9)20-18/h1-11H3
InChIKeyWXNMFJGDKSGHLN-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.42
Rot. Bonds2

About tert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane

tert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane (PubChem CID 135079203) has the molecular formula C17H33BO3Si and a molecular weight of 324.35 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane
PubChem CID135079203
Molecular FormulaC17H33BO3Si
Molecular Weight324.35 g/mol
Exact Mass324.23
IUPAC Nametert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane
SMILESCC(C)(C#CB1OC(C)(C)C(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33BO3Si/c1-14(2,3)22(10,11)21-15(4,5)12-13-18-19-16(6,7)17(8,9)20-18/h1-11H3
InChIKeyWXNMFJGDKSGHLN-UHFFFAOYSA-N
XLogP4.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane (CID 135079203) is tert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane is CC(C)(C#CB1OC(C)(C)C(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane?
The InChIKey is WXNMFJGDKSGHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33BO3Si/c1-14(2,3)22(10,11)21-15(4,5)12-13-18-19-16(6,7)17(8,9)20-18/h1-11H3.
What are the key properties of tert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane?
tert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane has a molecular weight of 324.35 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-yn-2-yl]oxysilane is sourced from PubChem (CID 135079203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).