[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate

C17H37NO2Si2 — CID 528064

IUPAC[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1CCCN1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H37NO2Si2/c1-16(2,3)21(7,8)18-13-11-12-14(18)15(19)20-22(9,10)17(4,5)6/h14H,11-13H2,1-10H3
InChIKeyZSQADQXTZNAIQH-UHFFFAOYSA-N
MW343.66 g/mol
LogP5.00
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate

[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate (PubChem CID 528064) has the molecular formula C17H37NO2Si2 and a molecular weight of 343.66 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate
PubChem CID528064
Molecular FormulaC17H37NO2Si2
Molecular Weight343.66 g/mol
Exact Mass343.24
IUPAC Name[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1CCCN1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H37NO2Si2/c1-16(2,3)21(7,8)18-13-11-12-14(18)15(19)20-22(9,10)17(4,5)6/h14H,11-13H2,1-10H3
InChIKeyZSQADQXTZNAIQH-UHFFFAOYSA-N
XLogP5.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.66
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate (CID 528064) is [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate is CC(C)(C)[Si](C)(C)OC(=O)C1CCCN1[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate?
The InChIKey is ZSQADQXTZNAIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2Si2/c1-16(2,3)21(7,8)18-13-11-12-14(18)15(19)20-22(9,10)17(4,5)6/h14H,11-13H2,1-10H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate?
[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate has a molecular weight of 343.66 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 528064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).