tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane

C32H43NO2Si — CID 169157215

IUPACtert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CCN(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H43NO2Si/c1-31(2,3)36(4,5)35-30-21-23-33(24-22-30)25-26-34-32(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20,30H,21-26H2,1-5H3
InChIKeyKSTOQQKMCJKZFW-UHFFFAOYSA-N
MW501.79 g/mol
LogP7.48
Rot. Bonds9

About tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane

tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane (PubChem CID 169157215) has the molecular formula C32H43NO2Si and a molecular weight of 501.79 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane
PubChem CID169157215
Molecular FormulaC32H43NO2Si
Molecular Weight501.79 g/mol
Exact Mass501.31
IUPAC Nametert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CCN(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H43NO2Si/c1-31(2,3)36(4,5)35-30-21-23-33(24-22-30)25-26-34-32(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20,30H,21-26H2,1-5H3
InChIKeyKSTOQQKMCJKZFW-UHFFFAOYSA-N
XLogP7.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.79
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane (CID 169157215) is tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane is CC(C)(C)[Si](C)(C)OC1CCN(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane?
The InChIKey is KSTOQQKMCJKZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43NO2Si/c1-31(2,3)36(4,5)35-30-21-23-33(24-22-30)25-26-34-32(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20,30H,21-26H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane?
tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane has a molecular weight of 501.79 g/mol, XLogP of 7.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane is sourced from PubChem (CID 169157215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).