[diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane

C30H31NOSi — CID 75581854

IUPAC[diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane
SMILESC[Si](OC(c1ccccc1)(c1ccccc1)C1CCCN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H31NOSi/c1-33(27-19-10-4-11-20-27,28-21-12-5-13-22-28)32-30(29-23-14-24-31-29,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h2-13,15-22,29,31H,14,23-24H2,1H3
InChIKeyVNDWWGQUFWTJLT-UHFFFAOYSA-N
MW449.67 g/mol
LogP5.09
Rot. Bonds7

About [diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane

[diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane (PubChem CID 75581854) has the molecular formula C30H31NOSi and a molecular weight of 449.67 g/mol. Its IUPAC name is [diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane.

Molecular Properties

Compound Name[diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane
PubChem CID75581854
Molecular FormulaC30H31NOSi
Molecular Weight449.67 g/mol
Exact Mass449.22
IUPAC Name[diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane
SMILESC[Si](OC(c1ccccc1)(c1ccccc1)C1CCCN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H31NOSi/c1-33(27-19-10-4-11-20-27,28-21-12-5-13-22-28)32-30(29-23-14-24-31-29,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h2-13,15-22,29,31H,14,23-24H2,1H3
InChIKeyVNDWWGQUFWTJLT-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.67
LogP ≤ 55.09
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 [diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane?
The IUPAC name of [diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane (CID 75581854) is [diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane.
What is the SMILES notation for [diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane?
The canonical SMILES for [diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane is C[Si](OC(c1ccccc1)(c1ccccc1)C1CCCN1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane?
The InChIKey is VNDWWGQUFWTJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NOSi/c1-33(27-19-10-4-11-20-27,28-21-12-5-13-22-28)32-30(29-23-14-24-31-29,25-15-6-2-7-16-25)26-17-8-3-9-18-26/h2-13,15-22,29,31H,14,23-24H2,1H3.
What are the key properties of [diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane?
[diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane has a molecular weight of 449.67 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl(pyrrolidin-2-yl)methoxy]-methyl-diphenylsilane is sourced from PubChem (CID 75581854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).