4-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane

C20H27N3O2Si — CID 123580049

IUPAC4-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane
SMILESCC(C)(C)O[Si](OCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N3O2Si/c1-20(2,3)25-26(18-12-6-4-7-13-18,19-14-8-5-9-15-19)24-17-11-10-16-22-23-21/h4-9,12-15H,10-11,16-17H2,1-3H3
InChIKeyHKUUABKEQSBTQK-UHFFFAOYSA-N
MW369.54 g/mol
LogP4.17
Rot. Bonds9

About 4-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane

4-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane (PubChem CID 123580049) has the molecular formula C20H27N3O2Si and a molecular weight of 369.54 g/mol. Its IUPAC name is 4-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane.

Molecular Properties

Compound Name4-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane
PubChem CID123580049
Molecular FormulaC20H27N3O2Si
Molecular Weight369.54 g/mol
Exact Mass369.19
IUPAC Name4-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane
SMILESCC(C)(C)O[Si](OCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N3O2Si/c1-20(2,3)25-26(18-12-6-4-7-13-18,19-14-8-5-9-15-19)24-17-11-10-16-22-23-21/h4-9,12-15H,10-11,16-17H2,1-3H3
InChIKeyHKUUABKEQSBTQK-UHFFFAOYSA-N
XLogP4.17
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane?
The IUPAC name of 4-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane (CID 123580049) is 4-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane.
What is the SMILES notation for 4-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane?
The canonical SMILES for 4-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane is CC(C)(C)O[Si](OCCCCN=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane?
The InChIKey is HKUUABKEQSBTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2Si/c1-20(2,3)25-26(18-12-6-4-7-13-18,19-14-8-5-9-15-19)24-17-11-10-16-22-23-21/h4-9,12-15H,10-11,16-17H2,1-3H3.
What are the key properties of 4-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane?
4-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane has a molecular weight of 369.54 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azidobutoxy-[(2-methylpropan-2-yl)oxy]-diphenylsilane is sourced from PubChem (CID 123580049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).