[(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane

C14H23N3OSi — CID 22867082

IUPAC[(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H](CN=[N+]=[N-])c1ccccc1
InChIInChI=1S/C14H23N3OSi/c1-14(2,3)19(4,5)18-13(11-16-17-15)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3/t13-/m1/s1
InChIKeyQNJZAHQIXGSOPS-CYBMUJFWSA-N
MW277.44 g/mol
LogP5.06
Rot. Bonds5

About [(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane

[(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane (PubChem CID 22867082) has the molecular formula C14H23N3OSi and a molecular weight of 277.44 g/mol. Its IUPAC name is [(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane
PubChem CID22867082
Molecular FormulaC14H23N3OSi
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name[(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H](CN=[N+]=[N-])c1ccccc1
InChIInChI=1S/C14H23N3OSi/c1-14(2,3)19(4,5)18-13(11-16-17-15)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3/t13-/m1/s1
InChIKeyQNJZAHQIXGSOPS-CYBMUJFWSA-N
XLogP5.06
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.44
LogP ≤ 55.06
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

tert-butyl-(3,3-dibromo-1-phenylpropoxy)-dimethylsilane
CID 15262613
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
1-[(2-azido-1-phenylethoxy)methyl]-4-tert-butylbenzene
CID 122470315
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
(1R,3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-phenylhex-5-en-3-ol
CID 101047793
(2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 71369485
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxo-4-phenylbutanoate
CID 23729831
tert-butyl-dimethyl-[(1S)-4-nitro-1-phenylbutoxy]silane
CID 11141410
methyl 3-[5-[2-[tert-butyl(dimethyl)silyl]oxy-2-phenylethyl]furan-2-yl]propanoate
CID 58974298
[(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane
CID 91804971
1-[[(1R)-2-azido-1-phenylethoxy]methyl]-4-(2-phenylethyl)benzene
CID 122533474
(2-azido-1-bromoethyl)benzene
CID 24972616

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane (CID 22867082) is [(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H](CN=[N+]=[N-])c1ccccc1.
What is the InChIKey of [(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane?
The InChIKey is QNJZAHQIXGSOPS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23N3OSi/c1-14(2,3)19(4,5)18-13(11-16-17-15)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3/t13-/m1/s1.
What are the key properties of [(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane?
[(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane has a molecular weight of 277.44 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-azido-1-phenylethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 22867082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).