tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate

C29H43NO3Si — CID 141048075

IUPACtert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate
SMILESCCCN1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C29H43NO3Si/c1-8-19-30-21-23(20-26(30)27(31)33-28(2,3)4)22-32-34(29(5,6)7,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,23,26H,8,19-22H2,1-7H3
InChIKeyNQSDJOKSXJYOJC-UHFFFAOYSA-N
MW481.75 g/mol
LogP5.01
Rot. Bonds8

About tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate

tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate (PubChem CID 141048075) has the molecular formula C29H43NO3Si and a molecular weight of 481.75 g/mol. Its IUPAC name is tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate
PubChem CID141048075
Molecular FormulaC29H43NO3Si
Molecular Weight481.75 g/mol
Exact Mass481.30
IUPAC Nametert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate
SMILESCCCN1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C29H43NO3Si/c1-8-19-30-21-23(20-26(30)27(31)33-28(2,3)4)22-32-34(29(5,6)7,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,23,26H,8,19-22H2,1-7H3
InChIKeyNQSDJOKSXJYOJC-UHFFFAOYSA-N
XLogP5.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.75
LogP ≤ 55.01
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 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate (CID 141048075) is tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate is CCCN1CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate?
The InChIKey is NQSDJOKSXJYOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43NO3Si/c1-8-19-30-21-23(20-26(30)27(31)33-28(2,3)4)22-32-34(29(5,6)7,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,23,26H,8,19-22H2,1-7H3.
What are the key properties of tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate?
tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate has a molecular weight of 481.75 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-propylpyrrolidine-2-carboxylate is sourced from PubChem (CID 141048075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).