[(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane

C26H39N3OSi — CID 58842051

IUPAC[(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane
SMILESCCCCCCC[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C26H39N3OSi/c1-5-6-7-8-11-16-23(28-29-27)21-22-30-31(26(2,3)4,24-17-12-9-13-18-24)25-19-14-10-15-20-25/h9-10,12-15,17-20,23H,5-8,11,16,21-22H2,1-4H3/t23-/m1/s1
InChIKeyNZXOXWZBIZPAOX-HSZRJFAPSA-N
MW437.70 g/mol
LogP6.99
Rot. Bonds13

About [(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane

[(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane (PubChem CID 58842051) has the molecular formula C26H39N3OSi and a molecular weight of 437.70 g/mol. Its IUPAC name is [(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane
PubChem CID58842051
Molecular FormulaC26H39N3OSi
Molecular Weight437.70 g/mol
Exact Mass437.29
IUPAC Name[(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane
SMILESCCCCCCC[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C26H39N3OSi/c1-5-6-7-8-11-16-23(28-29-27)21-22-30-31(26(2,3)4,24-17-12-9-13-18-24)25-19-14-10-15-20-25/h9-10,12-15,17-20,23H,5-8,11,16,21-22H2,1-4H3/t23-/m1/s1
InChIKeyNZXOXWZBIZPAOX-HSZRJFAPSA-N
XLogP6.99
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.70
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane (CID 58842051) is [(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane is CCCCCCC[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of [(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane?
The InChIKey is NZXOXWZBIZPAOX-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H39N3OSi/c1-5-6-7-8-11-16-23(28-29-27)21-22-30-31(26(2,3)4,24-17-12-9-13-18-24)25-19-14-10-15-20-25/h9-10,12-15,17-20,23H,5-8,11,16,21-22H2,1-4H3/t23-/m1/s1.
What are the key properties of [(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane?
[(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane has a molecular weight of 437.70 g/mol, XLogP of 6.99, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-azidodecoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 58842051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).