5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol

C21H29NO2Si — CID 67294109

IUPAC5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
SMILESCC(C)(C)[Si](OCC1CC(O)CN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO2Si/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-16-17-14-18(23)15-22-17/h4-13,17-18,22-23H,14-16H2,1-3H3
InChIKeyVWPHLLGCJSXPIF-UHFFFAOYSA-N
MW355.55 g/mol
LogP2.29
Rot. Bonds5

About 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol

5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol (PubChem CID 67294109) has the molecular formula C21H29NO2Si and a molecular weight of 355.55 g/mol. Its IUPAC name is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
PubChem CID67294109
Molecular FormulaC21H29NO2Si
Molecular Weight355.55 g/mol
Exact Mass355.20
IUPAC Name5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol
SMILESCC(C)(C)[Si](OCC1CC(O)CN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO2Si/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-16-17-14-18(23)15-22-17/h4-13,17-18,22-23H,14-16H2,1-3H3
InChIKeyVWPHLLGCJSXPIF-UHFFFAOYSA-N
XLogP2.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 52.29
H-Bond Donors ≤ 52
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 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
The IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol (CID 67294109) is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol is CC(C)(C)[Si](OCC1CC(O)CN1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
The InChIKey is VWPHLLGCJSXPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2Si/c1-21(2,3)25(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-16-17-14-18(23)15-22-17/h4-13,17-18,22-23H,14-16H2,1-3H3.
What are the key properties of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol?
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol has a molecular weight of 355.55 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-ol is sourced from PubChem (CID 67294109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).