[3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane

C37H45N3O2Si2 — CID 86747235

IUPAC[3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC1CC(N=[N+]=[N-])(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H45N3O2Si2/c1-35(2,3)43(31-19-11-7-12-20-31,32-21-13-8-14-22-32)41-29-30-27-37(28-30,39-40-38)42-44(36(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30H,27-29H2,1-6H3
InChIKeyYGRDFDKUVNCCSB-UHFFFAOYSA-N
MW619.96 g/mol
LogP7.56
Rot. Bonds10

About [3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane

[3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane (PubChem CID 86747235) has the molecular formula C37H45N3O2Si2 and a molecular weight of 619.96 g/mol. Its IUPAC name is [3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane
PubChem CID86747235
Molecular FormulaC37H45N3O2Si2
Molecular Weight619.96 g/mol
Exact Mass619.31
IUPAC Name[3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC1CC(N=[N+]=[N-])(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H45N3O2Si2/c1-35(2,3)43(31-19-11-7-12-20-31,32-21-13-8-14-22-32)41-29-30-27-37(28-30,39-40-38)42-44(36(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30H,27-29H2,1-6H3
InChIKeyYGRDFDKUVNCCSB-UHFFFAOYSA-N
XLogP7.56
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.96
LogP ≤ 57.56
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 [3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane (CID 86747235) is [3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCC1CC(N=[N+]=[N-])(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is YGRDFDKUVNCCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45N3O2Si2/c1-35(2,3)43(31-19-11-7-12-20-31,32-21-13-8-14-22-32)41-29-30-27-37(28-30,39-40-38)42-44(36(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-26,30H,27-29H2,1-6H3.
What are the key properties of [3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane?
[3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 619.96 g/mol, XLogP of 7.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-azido-3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 86747235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).