trimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane

C17H30BNO3Si — CID 53398358

IUPACtrimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane
SMILESCC(C)(O[Si](C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C17H30BNO3Si/c1-15(2,22-23(7,8)9)14-11-10-13(12-19-14)18-20-16(3,4)17(5,6)21-18/h10-12H,1-9H3
InChIKeyGQSLZAFZAPLKEY-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.47
Rot. Bonds4

About trimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane

trimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane (PubChem CID 53398358) has the molecular formula C17H30BNO3Si and a molecular weight of 335.33 g/mol. Its IUPAC name is trimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane.

Molecular Properties

Compound Nametrimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane
PubChem CID53398358
Molecular FormulaC17H30BNO3Si
Molecular Weight335.33 g/mol
Exact Mass335.21
IUPAC Nametrimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane
SMILESCC(C)(O[Si](C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C17H30BNO3Si/c1-15(2,22-23(7,8)9)14-11-10-13(12-19-14)18-20-16(3,4)17(5,6)21-18/h10-12H,1-9H3
InChIKeyGQSLZAFZAPLKEY-UHFFFAOYSA-N
XLogP3.47
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.47
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 trimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane?
The IUPAC name of trimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane (CID 53398358) is trimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane.
What is the SMILES notation for trimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane?
The canonical SMILES for trimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane is CC(C)(O[Si](C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.
What is the InChIKey of trimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane?
The InChIKey is GQSLZAFZAPLKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BNO3Si/c1-15(2,22-23(7,8)9)14-11-10-13(12-19-14)18-20-16(3,4)17(5,6)21-18/h10-12H,1-9H3.
What are the key properties of trimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane?
trimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane has a molecular weight of 335.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane is sourced from PubChem (CID 53398358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).