(4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane

C23H33N3OSi — CID 86621306

IUPAC(4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane
SMILESCC(C)C(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C23H33N3OSi/c1-19(2)22(25-26-24)17-12-18-27-28(23(3,4)5,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,22H,12,17-18H2,1-5H3
InChIKeyNTUKAYHINPHEJR-UHFFFAOYSA-N
MW395.62 g/mol
LogP5.68
Rot. Bonds9

About (4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane

(4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane (PubChem CID 86621306) has the molecular formula C23H33N3OSi and a molecular weight of 395.62 g/mol. Its IUPAC name is (4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane
PubChem CID86621306
Molecular FormulaC23H33N3OSi
Molecular Weight395.62 g/mol
Exact Mass395.24
IUPAC Name(4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane
SMILESCC(C)C(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C23H33N3OSi/c1-19(2)22(25-26-24)17-12-18-27-28(23(3,4)5,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,22H,12,17-18H2,1-5H3
InChIKeyNTUKAYHINPHEJR-UHFFFAOYSA-N
XLogP5.68
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.62
LogP ≤ 55.68
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 (4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane?
The IUPAC name of (4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane (CID 86621306) is (4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane.
What is the SMILES notation for (4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane?
The canonical SMILES for (4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane is CC(C)C(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of (4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane?
The InChIKey is NTUKAYHINPHEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3OSi/c1-19(2)22(25-26-24)17-12-18-27-28(23(3,4)5,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19,22H,12,17-18H2,1-5H3.
What are the key properties of (4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane?
(4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane has a molecular weight of 395.62 g/mol, XLogP of 5.68, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azido-5-methylhexoxy)-tert-butyl-diphenylsilane is sourced from PubChem (CID 86621306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).