[3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane

C37H45N3O2Si2 — CID 19794274

IUPAC[3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC1CC(N=[N+]=[N-])C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H45N3O2Si2/c1-36(2,3)43(30-19-11-7-12-20-30,31-21-13-8-14-22-31)41-28-29-27-34(39-40-38)35(29)42-44(37(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-26,29,34-35H,27-28H2,1-6H3
InChIKeySVDUNBGEJNVKFS-UHFFFAOYSA-N
MW619.96 g/mol
LogP7.21
Rot. Bonds10

About [3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane

[3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane (PubChem CID 19794274) has the molecular formula C37H45N3O2Si2 and a molecular weight of 619.96 g/mol. Its IUPAC name is [3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane
PubChem CID19794274
Molecular FormulaC37H45N3O2Si2
Molecular Weight619.96 g/mol
Exact Mass619.31
IUPAC Name[3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC1CC(N=[N+]=[N-])C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H45N3O2Si2/c1-36(2,3)43(30-19-11-7-12-20-30,31-21-13-8-14-22-31)41-28-29-27-34(39-40-38)35(29)42-44(37(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-26,29,34-35H,27-28H2,1-6H3
InChIKeySVDUNBGEJNVKFS-UHFFFAOYSA-N
XLogP7.21
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 ≤ 57.21
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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Related Compounds

(2S,4S)-4-azido-5-[tert-butyl(diphenyl)silyl]oxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpentanenitrile
CID 134834241
[(2R,3S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyoctadecan-3-yl]oxy-triphenylsilane
CID 139247493
2-(((1,1-Dimethylethyl)diphenylsilyl)oxy)-3-(((1,1-dimethylethyl)-diphenylsilyl)oxymethyl)-1-aminocyclobutane
CID 19794251
3,3-Bis[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine
CID 19794255
[1-Azido-3-[[2-methylpropyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-(2-methylpropyl)-diphenylsilane
CID 57125794
[(1S,2R,3R)-3-azido-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]methoxy-tert-butyl-diphenylsilane
CID 57221731
CID 69544793
CID 69544793
1-[Tert-butyl(diphenyl)silyl]oxy-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-amine
CID 70362728
((1,1-Dimethylethyl)diphenylsilyloxy)-3-(((1,1-dimethylethyl)diphenyl-silyl)oxymethyl)-1-azidocyclobutane
CID 86747235
4-Azidobutoxy-[4-[5-azidopentoxy(diphenyl)silyl]-2,4-dimethylpentan-2-yl]-diphenylsilane
CID 157346991
tert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane
CID 23254754

Frequently Asked Questions

What is the IUPAC name of [3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane (CID 19794274) is [3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCC1CC(N=[N+]=[N-])C1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is SVDUNBGEJNVKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45N3O2Si2/c1-36(2,3)43(30-19-11-7-12-20-30,31-21-13-8-14-22-31)41-28-29-27-34(39-40-38)35(29)42-44(37(4,5)6,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-26,29,34-35H,27-28H2,1-6H3.
What are the key properties of [3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane?
[3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 619.96 g/mol, XLogP of 7.21, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-azido-2-[tert-butyl(diphenyl)silyl]oxycyclobutyl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 19794274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).