1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate

C16H31NO5Si — CID 155747484

IUPAC1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate
SMILESCOC(=O)C1(O[Si](C)(C)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H31NO5Si/c1-14(2,3)21-13(19)17-10-16(11-17,12(18)20-7)22-23(8,9)15(4,5)6/h10-11H2,1-9H3
InChIKeyKCCSWDPORQZYPA-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.17
Rot. Bonds3

About 1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate (PubChem CID 155747484) has the molecular formula C16H31NO5Si and a molecular weight of 345.51 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate
PubChem CID155747484
Molecular FormulaC16H31NO5Si
Molecular Weight345.51 g/mol
Exact Mass345.20
IUPAC Name1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate
SMILESCOC(=O)C1(O[Si](C)(C)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H31NO5Si/c1-14(2,3)21-13(19)17-10-16(11-17,12(18)20-7)22-23(8,9)15(4,5)6/h10-11H2,1-9H3
InChIKeyKCCSWDPORQZYPA-UHFFFAOYSA-N
XLogP3.17
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-O-tert-butyl 3-O-methyl 3-bromoazetidine-1,3-dicarboxylate
CID 170711327
1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate
CID 67487447
1-O-tert-butyl 4-O-methyl 4-(methoxymethyl)piperidine-1,4-dicarboxylate
CID 118290173
1-O-tert-butyl 3-O-methyl 3-prop-2-ynylazetidine-1,3-dicarboxylate
CID 167719155
1-O-tert-butyl 3-O-methyl 5,5-difluoro-3-methylpiperidine-1,3-dicarboxylate
CID 162723963
tert-butyl 3,3-bis(methylamino)azetidine-1-carboxylate
CID 174271991
tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249
1-O-tert-butyl 3-O-methyl (3R)-3-fluoropyrrolidine-1,3-dicarboxylate
CID 86685754
tert-butyl (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carboxylate
CID 135017355
1-O-tert-butyl 4-O-methyl 4-(2-oxopropoxy)piperidine-1,4-dicarboxylate
CID 121306018
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-3-[(1,3-dioxoisoindol-2-yl)oxymethyl]azetidine-1-carboxylate
CID 155747491
1-O-tert-butyl 3-O-methyl (3S)-3-methylpiperidine-1,3-dicarboxylate
CID 86307189

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate (CID 155747484) is 1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate is COC(=O)C1(O[Si](C)(C)C(C)(C)C)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate?
The InChIKey is KCCSWDPORQZYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO5Si/c1-14(2,3)21-13(19)17-10-16(11-17,12(18)20-7)22-23(8,9)15(4,5)6/h10-11H2,1-9H3.
What are the key properties of 1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate has a molecular weight of 345.51 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-methyl 3-[tert-butyl(dimethyl)silyl]oxyazetidine-1,3-dicarboxylate is sourced from PubChem (CID 155747484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).