[(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane

C38H47N3O2Si2 — CID 57221731

IUPAC[(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1C[C@@H](N=[N+]=[N-])[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H47N3O2Si2/c1-37(2,3)44(31-19-11-7-12-20-31,32-21-13-8-14-22-32)42-28-30-27-36(40-41-39)35(30)29-43-45(38(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30,35-36H,27-29H2,1-6H3/t30-,35-,36-/m1/s1
InChIKeyBKFQSVBLIVSCAB-ZCFPMLOXSA-N
MW633.99 g/mol
LogP7.45
Rot. Bonds11

About [(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane

[(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane (PubChem CID 57221731) has the molecular formula C38H47N3O2Si2 and a molecular weight of 633.99 g/mol. Its IUPAC name is [(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane
PubChem CID57221731
Molecular FormulaC38H47N3O2Si2
Molecular Weight633.99 g/mol
Exact Mass633.32
IUPAC Name[(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1C[C@@H](N=[N+]=[N-])[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H47N3O2Si2/c1-37(2,3)44(31-19-11-7-12-20-31,32-21-13-8-14-22-32)42-28-30-27-36(40-41-39)35(30)29-43-45(38(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30,35-36H,27-29H2,1-6H3/t30-,35-,36-/m1/s1
InChIKeyBKFQSVBLIVSCAB-ZCFPMLOXSA-N
XLogP7.45
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.99
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane (CID 57221731) is [(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@H]1C[C@@H](N=[N+]=[N-])[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is BKFQSVBLIVSCAB-ZCFPMLOXSA-N. The full InChI is InChI=1S/C38H47N3O2Si2/c1-37(2,3)44(31-19-11-7-12-20-31,32-21-13-8-14-22-32)42-28-30-27-36(40-41-39)35(30)29-43-45(38(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30,35-36H,27-29H2,1-6H3/t30-,35-,36-/m1/s1.
What are the key properties of [(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane?
[(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 633.99 g/mol, XLogP of 7.45, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 57221731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).