tri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane

C33H45NOSi — CID 11752377

IUPACtri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane
SMILESCC(C)[Si](OC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1)(C(C)C)C(C)C
InChIInChI=1S/C33H45NOSi/c1-26(2)36(27(3)4,28(5)6)35-32-22-24-34(25-23-32)33(29-16-10-7-11-17-29,30-18-12-8-13-19-30)31-20-14-9-15-21-31/h7-21,26-28,32H,22-25H2,1-6H3
InChIKeyXZIZJPZIFBPHJE-UHFFFAOYSA-N
MW499.82 g/mol
LogP8.64
Rot. Bonds9

About tri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane

tri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane (PubChem CID 11752377) has the molecular formula C33H45NOSi and a molecular weight of 499.82 g/mol. Its IUPAC name is tri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane.

Molecular Properties

Compound Nametri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane
PubChem CID11752377
Molecular FormulaC33H45NOSi
Molecular Weight499.82 g/mol
Exact Mass499.33
IUPAC Nametri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane
SMILESCC(C)[Si](OC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1)(C(C)C)C(C)C
InChIInChI=1S/C33H45NOSi/c1-26(2)36(27(3)4,28(5)6)35-32-22-24-34(25-23-32)33(29-16-10-7-11-17-29,30-18-12-8-13-19-30)31-20-14-9-15-21-31/h7-21,26-28,32H,22-25H2,1-6H3
InChIKeyXZIZJPZIFBPHJE-UHFFFAOYSA-N
XLogP8.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.82
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane?
The IUPAC name of tri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane (CID 11752377) is tri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane.
What is the SMILES notation for tri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane?
The canonical SMILES for tri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane is CC(C)[Si](OC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane?
The InChIKey is XZIZJPZIFBPHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45NOSi/c1-26(2)36(27(3)4,28(5)6)35-32-22-24-34(25-23-32)33(29-16-10-7-11-17-29,30-18-12-8-13-19-30)31-20-14-9-15-21-31/h7-21,26-28,32H,22-25H2,1-6H3.
What are the key properties of tri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane?
tri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane has a molecular weight of 499.82 g/mol, XLogP of 8.64, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-(1-tritylpiperidin-4-yl)oxysilane is sourced from PubChem (CID 11752377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).