2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal

C23H31NO2Si — CID 90001562

IUPAC2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal
SMILESCC(C)(C=O)N1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C23H31NO2Si/c1-22(2,3)27(20-12-8-6-9-13-20,21-14-10-7-11-15-21)26-19-16-24(17-19)23(4,5)18-25/h6-15,18-19H,16-17H2,1-5H3
InChIKeyZGOFYEUMDLKGLP-UHFFFAOYSA-N
MW381.59 g/mol
LogP3.22
Rot. Bonds6

About 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal

2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal (PubChem CID 90001562) has the molecular formula C23H31NO2Si and a molecular weight of 381.59 g/mol. Its IUPAC name is 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal.

Molecular Properties

Compound Name2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal
PubChem CID90001562
Molecular FormulaC23H31NO2Si
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC Name2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal
SMILESCC(C)(C=O)N1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C23H31NO2Si/c1-22(2,3)27(20-12-8-6-9-13-20,21-14-10-7-11-15-21)26-19-16-24(17-19)23(4,5)18-25/h6-15,18-19H,16-17H2,1-5H3
InChIKeyZGOFYEUMDLKGLP-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.59
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal?
The IUPAC name of 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal (CID 90001562) is 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal.
What is the SMILES notation for 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal?
The canonical SMILES for 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal is CC(C)(C=O)N1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal?
The InChIKey is ZGOFYEUMDLKGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2Si/c1-22(2,3)27(20-12-8-6-9-13-20,21-14-10-7-11-15-21)26-19-16-24(17-19)23(4,5)18-25/h6-15,18-19H,16-17H2,1-5H3.
What are the key properties of 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal?
2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal has a molecular weight of 381.59 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-2-methylpropanal is sourced from PubChem (CID 90001562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).