3-azidobutoxy-tert-butyl-diphenylsilane

C20H27N3OSi — CID 11210404

IUPAC3-azidobutoxy-tert-butyl-diphenylsilane
SMILESCC(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C20H27N3OSi/c1-17(22-23-21)15-16-24-25(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3
InChIKeyPGFABNWAUNFKQE-UHFFFAOYSA-N
MW353.54 g/mol
LogP4.65
Rot. Bonds7

About 3-azidobutoxy-tert-butyl-diphenylsilane

3-azidobutoxy-tert-butyl-diphenylsilane (PubChem CID 11210404) has the molecular formula C20H27N3OSi and a molecular weight of 353.54 g/mol. Its IUPAC name is 3-azidobutoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name3-azidobutoxy-tert-butyl-diphenylsilane
PubChem CID11210404
Molecular FormulaC20H27N3OSi
Molecular Weight353.54 g/mol
Exact Mass353.19
IUPAC Name3-azidobutoxy-tert-butyl-diphenylsilane
SMILESCC(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C20H27N3OSi/c1-17(22-23-21)15-16-24-25(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3
InChIKeyPGFABNWAUNFKQE-UHFFFAOYSA-N
XLogP4.65
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.54
LogP ≤ 54.65
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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Related Compounds

Butoxy-tert-butyl-diphenylsilane
CID 3597126
4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine
CID 10042117
tert-Butyl(pent-4-en-1-yloxy)diphenylsilane
CID 10829859
1-[Tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine
CID 11131656
1-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-2-propanamine
CID 13615027
3-Amino-1-(t-butyldiphenylsilyloxy)propane
CID 15174653
3-[Tert-butyl(diphenyl)silyl]oxy-2-fluoropropan-1-amine
CID 59718216
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine
CID 140870530
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine
CID 140870544
3-[Tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine
CID 140900153
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoropropan-1-amine
CID 173679238
(4-Azido-2-fluorocyclopent-2-en-1-yl)oxy-tert-butyl-diphenylsilane
CID 173696208

Frequently Asked Questions

What is the IUPAC name of 3-azidobutoxy-tert-butyl-diphenylsilane?
The IUPAC name of 3-azidobutoxy-tert-butyl-diphenylsilane (CID 11210404) is 3-azidobutoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 3-azidobutoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 3-azidobutoxy-tert-butyl-diphenylsilane is CC(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of 3-azidobutoxy-tert-butyl-diphenylsilane?
The InChIKey is PGFABNWAUNFKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OSi/c1-17(22-23-21)15-16-24-25(20(2,3)4,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3.
What are the key properties of 3-azidobutoxy-tert-butyl-diphenylsilane?
3-azidobutoxy-tert-butyl-diphenylsilane has a molecular weight of 353.54 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidobutoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 11210404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).