tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane

C21H32BNO3Si — CID 11682465

IUPACtert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane
SMILESCC1(C)OB(c2ccc3cccnc3c2O[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C21H32BNO3Si/c1-19(2,3)27(8,9)24-18-16(13-12-15-11-10-14-23-17(15)18)22-25-20(4,5)21(6,7)26-22/h10-14H,1-9H3
InChIKeyZWXFUIJHTLCNJW-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.92
Rot. Bonds3

About tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane

tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane (PubChem CID 11682465) has the molecular formula C21H32BNO3Si and a molecular weight of 385.39 g/mol. Its IUPAC name is tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane
PubChem CID11682465
Molecular FormulaC21H32BNO3Si
Molecular Weight385.39 g/mol
Exact Mass385.22
IUPAC Nametert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane
SMILESCC1(C)OB(c2ccc3cccnc3c2O[Si](C)(C)C(C)(C)C)OC1(C)C
InChIInChI=1S/C21H32BNO3Si/c1-19(2,3)27(8,9)24-18-16(13-12-15-11-10-14-23-17(15)18)22-25-20(4,5)21(6,7)26-22/h10-14H,1-9H3
InChIKeyZWXFUIJHTLCNJW-UHFFFAOYSA-N
XLogP4.92
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.92
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-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane (CID 11682465) is tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane is CC1(C)OB(c2ccc3cccnc3c2O[Si](C)(C)C(C)(C)C)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane?
The InChIKey is ZWXFUIJHTLCNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32BNO3Si/c1-19(2,3)27(8,9)24-18-16(13-12-15-11-10-14-23-17(15)18)22-25-20(4,5)21(6,7)26-22/h10-14H,1-9H3.
What are the key properties of tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane?
tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane has a molecular weight of 385.39 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxysilane is sourced from PubChem (CID 11682465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).