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

C27H42LiNO2Si2 — CID 166442349

IUPAClithium;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane;oxolane
SMILESC1CCOC1.COC[C@@H]1CCCN1C[Si]([CH-][Si](C)(C)C)(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C23H34NOSi2.C4H8O.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;1-2-4-5-3-1;/h5-10,13-16,20-21H,11-12,17-19H2,1-4H3;1-4H2;/q-1;;+1/t21-;;/m0../s1
InChIKeyGLDNWVGKHALPAI-FGJQBABTSA-N
MW475.75 g/mol
LogP1.32
Rot. Bonds8

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

lithium;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane;oxolane (PubChem CID 166442349) has the molecular formula C27H42LiNO2Si2 and a molecular weight of 475.75 g/mol. Its IUPAC name is lithium;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane;oxolane.

Molecular Properties

Compound Namelithium;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane;oxolane
PubChem CID166442349
Molecular FormulaC27H42LiNO2Si2
Molecular Weight475.75 g/mol
Exact Mass475.29
IUPAC Namelithium;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane;oxolane
SMILESC1CCOC1.COC[C@@H]1CCCN1C[Si]([CH-][Si](C)(C)C)(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C23H34NOSi2.C4H8O.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;1-2-4-5-3-1;/h5-10,13-16,20-21H,11-12,17-19H2,1-4H3;1-4H2;/q-1;;+1/t21-;;/m0../s1
InChIKeyGLDNWVGKHALPAI-FGJQBABTSA-N
XLogP1.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.75
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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;oxolane?
The IUPAC name of lithium;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane;oxolane (CID 166442349) is lithium;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane;oxolane.
What is the SMILES notation for lithium;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane;oxolane?
The canonical SMILES for lithium;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane;oxolane is C1CCOC1.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;oxolane?
The InChIKey is GLDNWVGKHALPAI-FGJQBABTSA-N. The full InChI is InChI=1S/C23H34NOSi2.C4H8O.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;1-2-4-5-3-1;/h5-10,13-16,20-21H,11-12,17-19H2,1-4H3;1-4H2;/q-1;;+1/t21-;;/m0../s1.
What are the key properties of lithium;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane;oxolane?
lithium;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane;oxolane has a molecular weight of 475.75 g/mol, XLogP of 1.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl-diphenyl-(trimethylsilylmethyl)silane;oxolane is sourced from PubChem (CID 166442349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).