tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate

C23H34N2O6Si — CID 155747491

IUPACtert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CON2C(=O)c3ccccc3C2=O)(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C23H34N2O6Si/c1-21(2,3)30-20(28)24-13-23(14-24,31-32(7,8)22(4,5)6)15-29-25-18(26)16-11-9-10-12-17(16)19(25)27/h9-12H,13-15H2,1-8H3
InChIKeyZMHQONZUQLTLHH-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.23
Rot. Bonds5

About tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate

tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate (PubChem CID 155747491) has the molecular formula C23H34N2O6Si and a molecular weight of 462.62 g/mol. Its IUPAC name is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate
PubChem CID155747491
Molecular FormulaC23H34N2O6Si
Molecular Weight462.62 g/mol
Exact Mass462.22
IUPAC Nametert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CON2C(=O)c3ccccc3C2=O)(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C23H34N2O6Si/c1-21(2,3)30-20(28)24-13-23(14-24,31-32(7,8)22(4,5)6)15-29-25-18(26)16-11-9-10-12-17(16)19(25)27/h9-12H,13-15H2,1-8H3
InChIKeyZMHQONZUQLTLHH-UHFFFAOYSA-N
XLogP4.23
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate with MolForge

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Related Compounds

2-[[3-[tert-butyl(dimethyl)silyl]oxyoxolan-3-yl]methoxy]isoindole-1,3-dione
CID 155747511
2-[[1-[(2-methylpropan-2-yl)oxy]cyclobutyl]methoxy]isoindole-1,3-dione
CID 155447693
tert-butyl 6-(1,3-dioxoisoindol-2-yl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 126709894
3-O-tert-butyl 1-O-(1,3-dioxoisoindol-2-yl) (1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-1,3-dicarboxylate
CID 178202353
tert-butyl 6-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 155752054
2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione
CID 101060892
1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate
CID 155747484
2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione
CID 21111569
tert-butyl 4-(aminooxymethyl)imidazole-1-carboxylate;tert-butyl 4-[(1,3-dioxoisoindol-2-yl)oxymethyl]imidazole-1-carboxylate
CID 160890447
tert-butyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 101218621
2-[3-(2-fluorophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107140665
CID 174064131
CID 174064131

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate (CID 155747491) is tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(CON2C(=O)c3ccccc3C2=O)(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate?
The InChIKey is ZMHQONZUQLTLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O6Si/c1-21(2,3)30-20(28)24-13-23(14-24,31-32(7,8)22(4,5)6)15-29-25-18(26)16-11-9-10-12-17(16)19(25)27/h9-12H,13-15H2,1-8H3.
What are the key properties of tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate?
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate has a molecular weight of 462.62 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 155747491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).