[1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol

C19H33NO2Si — CID 19914911

IUPAC[1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1CCC(CO)N1Cc1ccccc1
InChIInChI=1S/C19H33NO2Si/c1-19(2,3)23(4,5)22-15-18-12-11-17(14-21)20(18)13-16-9-7-6-8-10-16/h6-10,17-18,21H,11-15H2,1-5H3
InChIKeyMSFZLJGALJEGIL-UHFFFAOYSA-N
MW335.56 g/mol
LogP4.03
Rot. Bonds6

About [1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol

[1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol (PubChem CID 19914911) has the molecular formula C19H33NO2Si and a molecular weight of 335.56 g/mol. Its IUPAC name is [1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol
PubChem CID19914911
Molecular FormulaC19H33NO2Si
Molecular Weight335.56 g/mol
Exact Mass335.23
IUPAC Name[1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1CCC(CO)N1Cc1ccccc1
InChIInChI=1S/C19H33NO2Si/c1-19(2,3)23(4,5)22-15-18-12-11-17(14-21)20(18)13-16-9-7-6-8-10-16/h6-10,17-18,21H,11-15H2,1-5H3
InChIKeyMSFZLJGALJEGIL-UHFFFAOYSA-N
XLogP4.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
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 [1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol (CID 19914911) is [1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol is CC(C)(C)[Si](C)(C)OCC1CCC(CO)N1Cc1ccccc1.
What is the InChIKey of [1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol?
The InChIKey is MSFZLJGALJEGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2Si/c1-19(2,3)23(4,5)22-15-18-12-11-17(14-21)20(18)13-16-9-7-6-8-10-16/h6-10,17-18,21H,11-15H2,1-5H3.
What are the key properties of [1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol?
[1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol has a molecular weight of 335.56 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 19914911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).