benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate

C21H33NO5Si — CID 141251927

IUPACbenzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate
SMILESCC(C)(C)[Si](C)(C)OCC1CC(C(=O)COC(=O)OCc2ccccc2)CN1
InChIInChI=1S/C21H33NO5Si/c1-21(2,3)28(4,5)27-14-18-11-17(12-22-18)19(23)15-26-20(24)25-13-16-9-7-6-8-10-16/h6-10,17-18,22H,11-15H2,1-5H3
InChIKeyAWJDKVPYSVVKTJ-UHFFFAOYSA-N
MW407.58 g/mol
LogP3.91
Rot. Bonds8

About benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate

benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate (PubChem CID 141251927) has the molecular formula C21H33NO5Si and a molecular weight of 407.58 g/mol. Its IUPAC name is benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate.

Molecular Properties

Compound Namebenzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate
PubChem CID141251927
Molecular FormulaC21H33NO5Si
Molecular Weight407.58 g/mol
Exact Mass407.21
IUPAC Namebenzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate
SMILESCC(C)(C)[Si](C)(C)OCC1CC(C(=O)COC(=O)OCc2ccccc2)CN1
InChIInChI=1S/C21H33NO5Si/c1-21(2,3)28(4,5)27-14-18-11-17(12-22-18)19(23)15-26-20(24)25-13-16-9-7-6-8-10-16/h6-10,17-18,22H,11-15H2,1-5H3
InChIKeyAWJDKVPYSVVKTJ-UHFFFAOYSA-N
XLogP3.91
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate?
The IUPAC name of benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate (CID 141251927) is benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate.
What is the SMILES notation for benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate?
The canonical SMILES for benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate is CC(C)(C)[Si](C)(C)OCC1CC(C(=O)COC(=O)OCc2ccccc2)CN1.
What is the InChIKey of benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate?
The InChIKey is AWJDKVPYSVVKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO5Si/c1-21(2,3)28(4,5)27-14-18-11-17(12-22-18)19(23)15-26-20(24)25-13-16-9-7-6-8-10-16/h6-10,17-18,22H,11-15H2,1-5H3.
What are the key properties of benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate?
benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate has a molecular weight of 407.58 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate is sourced from PubChem (CID 141251927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).