lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane

C23H34LiNOSi2 — CID 166442347

IUPAClithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane
SMILESCOC[C@@H]1CCCN1C[Si]([CH-][Si](C)(C)C)(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C23H34NOSi2.Li/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;/q-1;+1/t21-;/m0./s1
InChIKeyGBLMROMXTPPVDW-BOXHHOBZSA-N
MW403.64 g/mol
LogP0.52
Rot. Bonds8

About lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane

lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane (PubChem CID 166442347) has the molecular formula C23H34LiNOSi2 and a molecular weight of 403.64 g/mol. Its IUPAC name is lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane.

Molecular Properties

Compound Namelithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane
PubChem CID166442347
Molecular FormulaC23H34LiNOSi2
Molecular Weight403.64 g/mol
Exact Mass403.23
IUPAC Namelithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane
SMILESCOC[C@@H]1CCCN1C[Si]([CH-][Si](C)(C)C)(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C23H34NOSi2.Li/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;/q-1;+1/t21-;/m0./s1
InChIKeyGBLMROMXTPPVDW-BOXHHOBZSA-N
XLogP0.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.64
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane?
The IUPAC name of lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane (CID 166442347) is lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane.
What is the SMILES notation for lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane?
The canonical SMILES for lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane is COC[C@@H]1CCCN1C[Si]([CH-][Si](C)(C)C)(c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane?
The InChIKey is GBLMROMXTPPVDW-BOXHHOBZSA-N. The full InChI is InChI=1S/C23H34NOSi2.Li/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;/q-1;+1/t21-;/m0./s1.
What are the key properties of lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane?
lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane has a molecular weight of 403.64 g/mol, XLogP of 0.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane is sourced from PubChem (CID 166442347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).