tert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane

C23H40BNO3Si — CID 163388633

IUPACtert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane
SMILESCC1(C)OB(c2ccc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)OC1(C)C
InChIInChI=1S/C23H40BNO3Si/c1-21(2,3)29(8,9)26-20-14-16-25(17-15-20)19-12-10-18(11-13-19)24-27-22(4,5)23(6,7)28-24/h10-13,20H,14-17H2,1-9H3
InChIKeyRMKVIJJPTKFUEI-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.98
Rot. Bonds4

About tert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane

tert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane (PubChem CID 163388633) has the molecular formula C23H40BNO3Si and a molecular weight of 417.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane
PubChem CID163388633
Molecular FormulaC23H40BNO3Si
Molecular Weight417.48 g/mol
Exact Mass417.29
IUPAC Nametert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane
SMILESCC1(C)OB(c2ccc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)OC1(C)C
InChIInChI=1S/C23H40BNO3Si/c1-21(2,3)29(8,9)26-20-14-16-25(17-15-20)19-12-10-18(11-13-19)24-27-22(4,5)23(6,7)28-24/h10-13,20H,14-17H2,1-9H3
InChIKeyRMKVIJJPTKFUEI-UHFFFAOYSA-N
XLogP4.98
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.98
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-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane (CID 163388633) is tert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane is CC1(C)OB(c2ccc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2)OC1(C)C.
What is the InChIKey of tert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane?
The InChIKey is RMKVIJJPTKFUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40BNO3Si/c1-21(2,3)29(8,9)26-20-14-16-25(17-15-20)19-12-10-18(11-13-19)24-27-22(4,5)23(6,7)28-24/h10-13,20H,14-17H2,1-9H3.
What are the key properties of tert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane?
tert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane has a molecular weight of 417.48 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-4-yl]oxysilane is sourced from PubChem (CID 163388633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).