5-(N-triphenylsilylanilino)oxocan-2-one

C31H31NO2Si — CID 140663714

IUPAC5-(N-triphenylsilylanilino)oxocan-2-one
SMILESO=C1CCC(N(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CCCO1
InChIInChI=1S/C31H31NO2Si/c33-31-24-23-27(16-13-25-34-31)32(26-14-5-1-6-15-26)35(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-12,14-15,17-22,27H,13,16,23-25H2
InChIKeyFHAZJMOIQZZVRE-UHFFFAOYSA-N
MW477.68 g/mol
LogP4.65
Rot. Bonds6

About 5-(N-triphenylsilylanilino)oxocan-2-one

5-(N-triphenylsilylanilino)oxocan-2-one (PubChem CID 140663714) has the molecular formula C31H31NO2Si and a molecular weight of 477.68 g/mol. Its IUPAC name is 5-(N-triphenylsilylanilino)oxocan-2-one.

Molecular Properties

Compound Name5-(N-triphenylsilylanilino)oxocan-2-one
PubChem CID140663714
Molecular FormulaC31H31NO2Si
Molecular Weight477.68 g/mol
Exact Mass477.21
IUPAC Name5-(N-triphenylsilylanilino)oxocan-2-one
SMILESO=C1CCC(N(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CCCO1
InChIInChI=1S/C31H31NO2Si/c33-31-24-23-27(16-13-25-34-31)32(26-14-5-1-6-15-26)35(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-12,14-15,17-22,27H,13,16,23-25H2
InChIKeyFHAZJMOIQZZVRE-UHFFFAOYSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.68
LogP ≤ 54.65
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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Related Compounds

3-[methyl(triphenylsilyl)amino]oxan-2-one
CID 123790834
3-[bis(triphenylsilyl)amino]oxolan-2-one
CID 89421967
(213C)oxolan-2-one
CID 175700736
oxan-2-one;pyridine
CID 175461259
oxepan-2-one;phenylselanylbenzene
CID 175535328
5-iodooxocan-2-one
CID 10944959
5-[bis(trimethylsilyl)amino]oxepan-2-one
CID 71282444
oxolan-2-one;silver
CID 175854718
oxolan-2-one;yttrium
CID 157257098
2,3,4,7,8,9-hexahydrooxecin-10-one
CID 71335147
(11Z)-1,6-dioxacyclohexadec-11-ene-7,16-dione
CID 10890455
oxolan-2-one;pyrimidine
CID 159701872

Frequently Asked Questions

What is the IUPAC name of 5-(N-triphenylsilylanilino)oxocan-2-one?
The IUPAC name of 5-(N-triphenylsilylanilino)oxocan-2-one (CID 140663714) is 5-(N-triphenylsilylanilino)oxocan-2-one.
What is the SMILES notation for 5-(N-triphenylsilylanilino)oxocan-2-one?
The canonical SMILES for 5-(N-triphenylsilylanilino)oxocan-2-one is O=C1CCC(N(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CCCO1.
What is the InChIKey of 5-(N-triphenylsilylanilino)oxocan-2-one?
The InChIKey is FHAZJMOIQZZVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO2Si/c33-31-24-23-27(16-13-25-34-31)32(26-14-5-1-6-15-26)35(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-12,14-15,17-22,27H,13,16,23-25H2.
What are the key properties of 5-(N-triphenylsilylanilino)oxocan-2-one?
5-(N-triphenylsilylanilino)oxocan-2-one has a molecular weight of 477.68 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-triphenylsilylanilino)oxocan-2-one is sourced from PubChem (CID 140663714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).