3-[bis(triphenylsilyl)amino]oxolan-2-one

C40H35NO2Si2 — CID 89421967

IUPAC3-[bis(triphenylsilyl)amino]oxolan-2-one
SMILESO=C1OCCC1N([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H35NO2Si2/c42-40-39(31-32-43-40)41(44(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)45(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,39H,31-32H2
InChIKeyLZIOHJBMMGDFMT-UHFFFAOYSA-N
MW617.90 g/mol
LogP3.94
Rot. Bonds9

About 3-[bis(triphenylsilyl)amino]oxolan-2-one

3-[bis(triphenylsilyl)amino]oxolan-2-one (PubChem CID 89421967) has the molecular formula C40H35NO2Si2 and a molecular weight of 617.90 g/mol. Its IUPAC name is 3-[bis(triphenylsilyl)amino]oxolan-2-one.

Molecular Properties

Compound Name3-[bis(triphenylsilyl)amino]oxolan-2-one
PubChem CID89421967
Molecular FormulaC40H35NO2Si2
Molecular Weight617.90 g/mol
Exact Mass617.22
IUPAC Name3-[bis(triphenylsilyl)amino]oxolan-2-one
SMILESO=C1OCCC1N([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H35NO2Si2/c42-40-39(31-32-43-40)41(44(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)45(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,39H,31-32H2
InChIKeyLZIOHJBMMGDFMT-UHFFFAOYSA-N
XLogP3.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.90
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(triphenylsilyl)amino]oxolan-2-one?
The IUPAC name of 3-[bis(triphenylsilyl)amino]oxolan-2-one (CID 89421967) is 3-[bis(triphenylsilyl)amino]oxolan-2-one.
What is the SMILES notation for 3-[bis(triphenylsilyl)amino]oxolan-2-one?
The canonical SMILES for 3-[bis(triphenylsilyl)amino]oxolan-2-one is O=C1OCCC1N([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[bis(triphenylsilyl)amino]oxolan-2-one?
The InChIKey is LZIOHJBMMGDFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35NO2Si2/c42-40-39(31-32-43-40)41(44(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)45(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,39H,31-32H2.
What are the key properties of 3-[bis(triphenylsilyl)amino]oxolan-2-one?
3-[bis(triphenylsilyl)amino]oxolan-2-one has a molecular weight of 617.90 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(triphenylsilyl)amino]oxolan-2-one is sourced from PubChem (CID 89421967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).