tert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane

C23H33NOSi — CID 12000489

IUPACtert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C23H33NOSi/c1-22(2,3)26(4,5)25-23(21-17-12-18-24-21,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6-11,13-16,21,24H,12,17-18H2,1-5H3/t21-/m0/s1
InChIKeyYJFSFDYMOMREQP-NRFANRHFSA-N
MW367.61 g/mol
LogP5.70
Rot. Bonds5

About tert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane

tert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane (PubChem CID 12000489) has the molecular formula C23H33NOSi and a molecular weight of 367.61 g/mol. Its IUPAC name is tert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane
PubChem CID12000489
Molecular FormulaC23H33NOSi
Molecular Weight367.61 g/mol
Exact Mass367.23
IUPAC Nametert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C23H33NOSi/c1-22(2,3)26(4,5)25-23(21-17-12-18-24-21,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6-11,13-16,21,24H,12,17-18H2,1-5H3/t21-/m0/s1
InChIKeyYJFSFDYMOMREQP-NRFANRHFSA-N
XLogP5.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.61
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane (CID 12000489) is tert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of tert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane?
The InChIKey is YJFSFDYMOMREQP-NRFANRHFSA-N. The full InChI is InChI=1S/C23H33NOSi/c1-22(2,3)26(4,5)25-23(21-17-12-18-24-21,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h6-11,13-16,21,24H,12,17-18H2,1-5H3/t21-/m0/s1.
What are the key properties of tert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane?
tert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane has a molecular weight of 367.61 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 12000489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).