tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate

C26H35NO2Si — CID 101448053

IUPACtert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate
SMILESC=CC(C)C[Si](c1ccccc1)(c1ccccc1)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C26H35NO2Si/c1-6-21(2)20-30(22-14-9-7-10-15-22,23-16-11-8-12-17-23)24-18-13-19-27(24)25(28)29-26(3,4)5/h6-12,14-17,21,24H,1,13,18-20H2,2-5H3
InChIKeyHJHJZNUOQUIFCY-UHFFFAOYSA-N
MW421.66 g/mol
LogP5.01
Rot. Bonds6

About tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate (PubChem CID 101448053) has the molecular formula C26H35NO2Si and a molecular weight of 421.66 g/mol. Its IUPAC name is tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate
PubChem CID101448053
Molecular FormulaC26H35NO2Si
Molecular Weight421.66 g/mol
Exact Mass421.24
IUPAC Nametert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate
SMILESC=CC(C)C[Si](c1ccccc1)(c1ccccc1)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C26H35NO2Si/c1-6-21(2)20-30(22-14-9-7-10-15-22,23-16-11-8-12-17-23)24-18-13-19-27(24)25(28)29-26(3,4)5/h6-12,14-17,21,24H,1,13,18-20H2,2-5H3
InChIKeyHJHJZNUOQUIFCY-UHFFFAOYSA-N
XLogP5.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.66
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate (CID 101448053) is tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate is C=CC(C)C[Si](c1ccccc1)(c1ccccc1)C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate?
The InChIKey is HJHJZNUOQUIFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO2Si/c1-6-21(2)20-30(22-14-9-7-10-15-22,23-16-11-8-12-17-23)24-18-13-19-27(24)25(28)29-26(3,4)5/h6-12,14-17,21,24H,1,13,18-20H2,2-5H3.
What are the key properties of tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate has a molecular weight of 421.66 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-methylbut-3-enyl(diphenyl)silyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 101448053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).