[(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane

C16H27N3OSi — CID 154709560

IUPAC[(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane
SMILESC[C@H](c1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C16H27N3OSi/c1-13(14-10-8-7-9-11-14)15(18-19-17)12-20-21(5,6)16(2,3)4/h7-11,13,15H,12H2,1-6H3/t13-,15-/m1/s1
InChIKeyIQGLPCNJWSKUNK-UKRRQHHQSA-N
MW305.50 g/mol
LogP5.49
Rot. Bonds6

About [(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane

[(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane (PubChem CID 154709560) has the molecular formula C16H27N3OSi and a molecular weight of 305.50 g/mol. Its IUPAC name is [(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane
PubChem CID154709560
Molecular FormulaC16H27N3OSi
Molecular Weight305.50 g/mol
Exact Mass305.19
IUPAC Name[(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane
SMILESC[C@H](c1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C16H27N3OSi/c1-13(14-10-8-7-9-11-14)15(18-19-17)12-20-21(5,6)16(2,3)4/h7-11,13,15H,12H2,1-6H3/t13-,15-/m1/s1
InChIKeyIQGLPCNJWSKUNK-UKRRQHHQSA-N
XLogP5.49
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.50
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane (CID 154709560) is [(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane is C[C@H](c1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of [(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane?
The InChIKey is IQGLPCNJWSKUNK-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H27N3OSi/c1-13(14-10-8-7-9-11-14)15(18-19-17)12-20-21(5,6)16(2,3)4/h7-11,13,15H,12H2,1-6H3/t13-,15-/m1/s1.
What are the key properties of [(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane?
[(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane has a molecular weight of 305.50 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-azido-3-phenylbutoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 154709560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).