tert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane

C38H48N6O2Si2 — CID 23254754

IUPACtert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H](CC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-])N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H48N6O2Si2/c1-37(2,3)47(33-19-11-7-12-20-33,34-21-13-8-14-22-34)45-29-31(41-43-39)27-28-32(42-44-40)30-46-48(38(4,5)6,35-23-15-9-16-24-35)36-25-17-10-18-26-36/h7-26,31-32H,27-30H2,1-6H3/t31-,32-/m1/s1
InChIKeyPTFQJCIQWJZFQA-ROJLCIKYSA-N
MW677.01 g/mol
LogP8.28
Rot. Bonds15

About tert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane

tert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane (PubChem CID 23254754) has the molecular formula C38H48N6O2Si2 and a molecular weight of 677.01 g/mol. Its IUPAC name is tert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane
PubChem CID23254754
Molecular FormulaC38H48N6O2Si2
Molecular Weight677.01 g/mol
Exact Mass676.34
IUPAC Nametert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H](CC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-])N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H48N6O2Si2/c1-37(2,3)47(33-19-11-7-12-20-33,34-21-13-8-14-22-34)45-29-31(41-43-39)27-28-32(42-44-40)30-46-48(38(4,5)6,35-23-15-9-16-24-35)36-25-17-10-18-26-36/h7-26,31-32H,27-30H2,1-6H3/t31-,32-/m1/s1
InChIKeyPTFQJCIQWJZFQA-ROJLCIKYSA-N
XLogP8.28
TPSA115.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.01
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane (CID 23254754) is tert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@@H](CC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-])N=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane?
The InChIKey is PTFQJCIQWJZFQA-ROJLCIKYSA-N. The full InChI is InChI=1S/C38H48N6O2Si2/c1-37(2,3)47(33-19-11-7-12-20-33,34-21-13-8-14-22-34)45-29-31(41-43-39)27-28-32(42-44-40)30-46-48(38(4,5)6,35-23-15-9-16-24-35)36-25-17-10-18-26-36/h7-26,31-32H,27-30H2,1-6H3/t31-,32-/m1/s1.
What are the key properties of tert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane?
tert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane has a molecular weight of 677.01 g/mol, XLogP of 8.28, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,5R)-2,5-diazido-6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-diphenylsilane is sourced from PubChem (CID 23254754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).