tert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane

C19H24N2OSi — CID 164713945

IUPACtert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane
SMILESCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1N=N1
InChIInChI=1S/C19H24N2OSi/c1-15(18-20-21-18)22-23(19(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18H,1-4H3
InChIKeyZWCFECJEGMVYBY-UHFFFAOYSA-N
MW324.50 g/mol
LogP3.74
Rot. Bonds5

About tert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane

tert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane (PubChem CID 164713945) has the molecular formula C19H24N2OSi and a molecular weight of 324.50 g/mol. Its IUPAC name is tert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane
PubChem CID164713945
Molecular FormulaC19H24N2OSi
Molecular Weight324.50 g/mol
Exact Mass324.17
IUPAC Nametert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane
SMILESCC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1N=N1
InChIInChI=1S/C19H24N2OSi/c1-15(18-20-21-18)22-23(19(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18H,1-4H3
InChIKeyZWCFECJEGMVYBY-UHFFFAOYSA-N
XLogP3.74
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane (CID 164713945) is tert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane is CC(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1N=N1.
What is the InChIKey of tert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane?
The InChIKey is ZWCFECJEGMVYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OSi/c1-15(18-20-21-18)22-23(19(2,3)4,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18H,1-4H3.
What are the key properties of tert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane?
tert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane has a molecular weight of 324.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(3H-diazirin-3-yl)ethoxy]-diphenylsilane is sourced from PubChem (CID 164713945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).