[(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane

C21H27N3OSi — CID 150302802

IUPAC[(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane
SMILESC=CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C21H27N3OSi/c1-5-12-18(23-24-22)17-25-26(21(2,3)4,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h5-11,13-16,18H,1,12,17H2,2-4H3/t18-/m0/s1
InChIKeyGJYVSLMRCGYWAI-SFHVURJKSA-N
MW365.55 g/mol
LogP4.82
Rot. Bonds8

About [(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane

[(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane (PubChem CID 150302802) has the molecular formula C21H27N3OSi and a molecular weight of 365.55 g/mol. Its IUPAC name is [(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane
PubChem CID150302802
Molecular FormulaC21H27N3OSi
Molecular Weight365.55 g/mol
Exact Mass365.19
IUPAC Name[(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane
SMILESC=CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C21H27N3OSi/c1-5-12-18(23-24-22)17-25-26(21(2,3)4,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h5-11,13-16,18H,1,12,17H2,2-4H3/t18-/m0/s1
InChIKeyGJYVSLMRCGYWAI-SFHVURJKSA-N
XLogP4.82
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 54.82
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

{2-[(2-Dimethylamino-ethoxy)-diphenyl-silanyloxy]-ethyl}-dimethyl-amine
CID 23278623
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
2-(t-Butyldiphenylsilyloxy)ethylamine
CID 11001043
1-[Tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-amine
CID 11131656
1-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-2-propanamine
CID 13615027
3-[Tert-butyl(diphenyl)silyl]oxy-1,1,1-trifluoropropan-2-amine
CID 68294371
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine
CID 169181820
(4-Azido-2-fluorocyclopent-2-en-1-yl)oxy-tert-butyl-diphenylsilane
CID 173696208
[(1R,4R)-4-azido-2-fluorocyclopent-2-en-1-yl]oxy-tert-butyl-diphenylsilane
CID 173697235
3-[Tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-amine
CID 174058455

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane (CID 150302802) is [(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane is C=CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of [(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane?
The InChIKey is GJYVSLMRCGYWAI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N3OSi/c1-5-12-18(23-24-22)17-25-26(21(2,3)4,19-13-8-6-9-14-19)20-15-10-7-11-16-20/h5-11,13-16,18H,1,12,17H2,2-4H3/t18-/m0/s1.
What are the key properties of [(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane?
[(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane has a molecular weight of 365.55 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-azidopent-4-enoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 150302802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).