[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane

C26H43NOSi2Sn — CID 166442348

IUPAC[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane
SMILESCOC[C@@H]1CCCN1C[Si](c1ccccc1)(c1ccccc1)[C@@H]([Si](C)(C)C)[Sn](C)(C)C
InChIInChI=1S/C23H34NOSi2.3CH3.Sn/c1-25-18-21-12-11-17-24(21)19-27(20-26(2,3)4,22-13-7-5-8-14-22)23-15-9-6-10-16-23;;;;/h5-10,13-16,20-21H,11-12,17-19H2,1-4H3;3*1H3;/t21-;;;;/m0..../s1
InChIKeyQWPIKXFYQLPYAG-WUDICJIASA-N
MW560.52 g/mol
LogP5.02
Rot. Bonds9

About [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane

[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane (PubChem CID 166442348) has the molecular formula C26H43NOSi2Sn and a molecular weight of 560.52 g/mol. Its IUPAC name is [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane.

Molecular Properties

Compound Name[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane
PubChem CID166442348
Molecular FormulaC26H43NOSi2Sn
Molecular Weight560.52 g/mol
Exact Mass561.19
IUPAC Name[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane
SMILESCOC[C@@H]1CCCN1C[Si](c1ccccc1)(c1ccccc1)[C@@H]([Si](C)(C)C)[Sn](C)(C)C
InChIInChI=1S/C23H34NOSi2.3CH3.Sn/c1-25-18-21-12-11-17-24(21)19-27(20-26(2,3)4,22-13-7-5-8-14-22)23-15-9-6-10-16-23;;;;/h5-10,13-16,20-21H,11-12,17-19H2,1-4H3;3*1H3;/t21-;;;;/m0..../s1
InChIKeyQWPIKXFYQLPYAG-WUDICJIASA-N
XLogP5.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.52
LogP ≤ 55.02
H-Bond Donors ≤ 50
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 [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane?
The IUPAC name of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane (CID 166442348) is [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane.
What is the SMILES notation for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane?
The canonical SMILES for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane is COC[C@@H]1CCCN1C[Si](c1ccccc1)(c1ccccc1)[C@@H]([Si](C)(C)C)[Sn](C)(C)C.
What is the InChIKey of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane?
The InChIKey is QWPIKXFYQLPYAG-WUDICJIASA-N. The full InChI is InChI=1S/C23H34NOSi2.3CH3.Sn/c1-25-18-21-12-11-17-24(21)19-27(20-26(2,3)4,22-13-7-5-8-14-22)23-15-9-6-10-16-23;;;;/h5-10,13-16,20-21H,11-12,17-19H2,1-4H3;3*1H3;/t21-;;;;/m0..../s1.
What are the key properties of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane?
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane has a molecular weight of 560.52 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-[(R)-trimethylsilyl(trimethylstannyl)methyl]silane is sourced from PubChem (CID 166442348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).