3-[methyl(triphenylsilyl)amino]oxan-2-one

C24H25NO2Si — CID 123790834

IUPAC3-[methyl(triphenylsilyl)amino]oxan-2-one
SMILESCN(C1CCCOC1=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO2Si/c1-25(23-18-11-19-27-24(23)26)28(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17,23H,11,18-19H2,1H3
InChIKeyULWLJISMLAETII-UHFFFAOYSA-N
MW387.56 g/mol
LogP2.29
Rot. Bonds5

About 3-[methyl(triphenylsilyl)amino]oxan-2-one

3-[methyl(triphenylsilyl)amino]oxan-2-one (PubChem CID 123790834) has the molecular formula C24H25NO2Si and a molecular weight of 387.56 g/mol. Its IUPAC name is 3-[methyl(triphenylsilyl)amino]oxan-2-one.

Molecular Properties

Compound Name3-[methyl(triphenylsilyl)amino]oxan-2-one
PubChem CID123790834
Molecular FormulaC24H25NO2Si
Molecular Weight387.56 g/mol
Exact Mass387.17
IUPAC Name3-[methyl(triphenylsilyl)amino]oxan-2-one
SMILESCN(C1CCCOC1=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO2Si/c1-25(23-18-11-19-27-24(23)26)28(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17,23H,11,18-19H2,1H3
InChIKeyULWLJISMLAETII-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.56
LogP ≤ 52.29
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-[bis(triphenylsilyl)amino]oxolan-2-one
CID 89421967
3-[bis(trimethylsilyl)amino]oxan-2-one
CID 140663748
5-(N-triphenylsilylanilino)oxocan-2-one
CID 140663714
3-(dimethylamino)oxolan-2-one
CID 22088506
(3S)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]oxolan-2-one
CID 95899466
cyclopentyl-methyl-diphenylsilane
CID 123376620
methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate
CID 60720902
(3R)-3-methyloxan-2-one
CID 11804714
3-(2-fluorophenyl)oxan-2-one
CID 121220239
3-[bis(trimethylsilyl)amino]oxolan-2-one
CID 140663774
3-[(10-methoxyanthracen-9-yl)methylsulfanyl]oxan-2-one
CID 88949497
[4-(2-oxooxan-3-yl)oxyphenyl]-diphenylsulfanium
CID 59379030

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(triphenylsilyl)amino]oxan-2-one?
The IUPAC name of 3-[methyl(triphenylsilyl)amino]oxan-2-one (CID 123790834) is 3-[methyl(triphenylsilyl)amino]oxan-2-one.
What is the SMILES notation for 3-[methyl(triphenylsilyl)amino]oxan-2-one?
The canonical SMILES for 3-[methyl(triphenylsilyl)amino]oxan-2-one is CN(C1CCCOC1=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[methyl(triphenylsilyl)amino]oxan-2-one?
The InChIKey is ULWLJISMLAETII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2Si/c1-25(23-18-11-19-27-24(23)26)28(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22/h2-10,12-17,23H,11,18-19H2,1H3.
What are the key properties of 3-[methyl(triphenylsilyl)amino]oxan-2-one?
3-[methyl(triphenylsilyl)amino]oxan-2-one has a molecular weight of 387.56 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(triphenylsilyl)amino]oxan-2-one is sourced from PubChem (CID 123790834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).