diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane

C23H37NO2Si2 — CID 138393439

IUPACdiphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane
SMILESC[Si](C)(C)O[Si](C)(C)C.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C17H19NO.C6H18OSi2/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15;1-8(2,3)7-9(4,5)6/h1-6,8-11,16,18-19H,7,12-13H2;1-6H3/t16-;/m0./s1
InChIKeyDOEVTFOBODVBJM-NTISSMGPSA-N
MW415.73 g/mol
LogP5.35
Rot. Bonds5

About diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane

diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane (PubChem CID 138393439) has the molecular formula C23H37NO2Si2 and a molecular weight of 415.73 g/mol. Its IUPAC name is diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane.

Molecular Properties

Compound Namediphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane
PubChem CID138393439
Molecular FormulaC23H37NO2Si2
Molecular Weight415.73 g/mol
Exact Mass415.24
IUPAC Namediphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane
SMILESC[Si](C)(C)O[Si](C)(C)C.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C17H19NO.C6H18OSi2/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15;1-8(2,3)7-9(4,5)6/h1-6,8-11,16,18-19H,7,12-13H2;1-6H3/t16-;/m0./s1
InChIKeyDOEVTFOBODVBJM-NTISSMGPSA-N
XLogP5.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.73
LogP ≤ 55.35
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 diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane?
The IUPAC name of diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane (CID 138393439) is diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane.
What is the SMILES notation for diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane?
The canonical SMILES for diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane is C[Si](C)(C)O[Si](C)(C)C.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane?
The InChIKey is DOEVTFOBODVBJM-NTISSMGPSA-N. The full InChI is InChI=1S/C17H19NO.C6H18OSi2/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15;1-8(2,3)7-9(4,5)6/h1-6,8-11,16,18-19H,7,12-13H2;1-6H3/t16-;/m0./s1.
What are the key properties of diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane?
diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane has a molecular weight of 415.73 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(2S)-pyrrolidin-2-yl]methanol;trimethyl(trimethylsilyloxy)silane is sourced from PubChem (CID 138393439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).