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

C20H36BNO3Si — CID 59526189

IUPACtert-butyl-dimethyl-[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(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C20H36BNO3Si/c1-17(2,3)26(10,11)25-18(4,5)16-13-12-15(14-22-16)21-23-19(6,7)20(8,9)24-21/h12-14H,1-11H3
InChIKeyFTRDTYSVLDPJLZ-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.64
Rot. Bonds4

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

tert-butyl-dimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane (PubChem CID 59526189) has the molecular formula C20H36BNO3Si and a molecular weight of 377.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane
PubChem CID59526189
Molecular FormulaC20H36BNO3Si
Molecular Weight377.41 g/mol
Exact Mass377.26
IUPAC Nametert-butyl-dimethyl-[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(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C20H36BNO3Si/c1-17(2,3)26(10,11)25-18(4,5)16-13-12-15(14-22-16)21-23-19(6,7)20(8,9)24-21/h12-14H,1-11H3
InChIKeyFTRDTYSVLDPJLZ-UHFFFAOYSA-N
XLogP4.64
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.64
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 tert-butyl-dimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane (CID 59526189) is tert-butyl-dimethyl-[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 tert-butyl-dimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[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(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.
What is the InChIKey of tert-butyl-dimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane?
The InChIKey is FTRDTYSVLDPJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36BNO3Si/c1-17(2,3)26(10,11)25-18(4,5)16-13-12-15(14-22-16)21-23-19(6,7)20(8,9)24-21/h12-14H,1-11H3.
What are the key properties of tert-butyl-dimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane?
tert-butyl-dimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane has a molecular weight of 377.41 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]propan-2-yloxy]silane is sourced from PubChem (CID 59526189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).