(3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane

C21H29N3OSi — CID 102353278

IUPAC(3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane
SMILESCC(C)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C21H29N3OSi/c1-20(2,3)26(18-12-8-6-9-13-18,19-14-10-7-11-15-19)25-17-16-21(4,5)23-24-22/h6-15H,16-17H2,1-5H3
InChIKeyMMJHFEMISBTWNC-UHFFFAOYSA-N
MW367.57 g/mol
LogP5.04
Rot. Bonds7

About (3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane

(3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane (PubChem CID 102353278) has the molecular formula C21H29N3OSi and a molecular weight of 367.57 g/mol. Its IUPAC name is (3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane
PubChem CID102353278
Molecular FormulaC21H29N3OSi
Molecular Weight367.57 g/mol
Exact Mass367.21
IUPAC Name(3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane
SMILESCC(C)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C21H29N3OSi/c1-20(2,3)26(18-12-8-6-9-13-18,19-14-10-7-11-15-19)25-17-16-21(4,5)23-24-22/h6-15H,16-17H2,1-5H3
InChIKeyMMJHFEMISBTWNC-UHFFFAOYSA-N
XLogP5.04
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.57
LogP ≤ 55.04
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'}

Analyze (3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane?
The IUPAC name of (3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane (CID 102353278) is (3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane.
What is the SMILES notation for (3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane?
The canonical SMILES for (3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane is CC(C)(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of (3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane?
The InChIKey is MMJHFEMISBTWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OSi/c1-20(2,3)26(18-12-8-6-9-13-18,19-14-10-7-11-15-19)25-17-16-21(4,5)23-24-22/h6-15H,16-17H2,1-5H3.
What are the key properties of (3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane?
(3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane has a molecular weight of 367.57 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-azido-3-methylbutoxy)-tert-butyl-diphenylsilane is sourced from PubChem (CID 102353278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).