[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane

C28H41N3O3Si — CID 11656197

IUPAC[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane
SMILESCCC[C@H](COC1CCCCO1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C28H41N3O3Si/c1-5-14-23(21-33-27-19-12-13-20-32-27)26(30-31-29)22-34-35(28(2,3)4,24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-11,15-18,23,26-27H,5,12-14,19-22H2,1-4H3/t23-,26-,27?/m1/s1
InChIKeyQXPQUZYJGSBYEJ-UTZIHYNGSA-N
MW495.74 g/mol
LogP6.20
Rot. Bonds12

About [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane

[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane (PubChem CID 11656197) has the molecular formula C28H41N3O3Si and a molecular weight of 495.74 g/mol. Its IUPAC name is [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane
PubChem CID11656197
Molecular FormulaC28H41N3O3Si
Molecular Weight495.74 g/mol
Exact Mass495.29
IUPAC Name[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane
SMILESCCC[C@H](COC1CCCCO1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-]
InChIInChI=1S/C28H41N3O3Si/c1-5-14-23(21-33-27-19-12-13-20-32-27)26(30-31-29)22-34-35(28(2,3)4,24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-11,15-18,23,26-27H,5,12-14,19-22H2,1-4H3/t23-,26-,27?/m1/s1
InChIKeyQXPQUZYJGSBYEJ-UTZIHYNGSA-N
XLogP6.20
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.74
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-[(4S,5R)-5-azido-2,2-dimethyl-1,3-dioxan-4-yl]propoxy-tert-butyl-diphenylsilane
CID 71514367
[(2R)-2-[(4R,5S,6S)-6-[(1R)-1-azidoethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 134845852
(3R,4R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methyloxan-3-ol
CID 57712764
[(3R,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 59765611
[(3S,4R)-5-azido-4,6-diethoxy-3-methoxyoxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 71072338
(3S,4R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methyloxan-3-ol
CID 91172770
(3S,4R,6S)-5-azido-6-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-4-methyloxan-3-ol;carbanide
CID 162048071
[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)pentoxy]-tert-butyl-diphenylsilane
CID 11363665
[(2R,3S,4S,6S)-4-azido-6-methoxy-3-(2-methoxyethoxymethoxy)oxan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 101371344

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane (CID 11656197) is [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane is CCC[C@H](COC1CCCCO1)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=[N+]=[N-].
What is the InChIKey of [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane?
The InChIKey is QXPQUZYJGSBYEJ-UTZIHYNGSA-N. The full InChI is InChI=1S/C28H41N3O3Si/c1-5-14-23(21-33-27-19-12-13-20-32-27)26(30-31-29)22-34-35(28(2,3)4,24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-11,15-18,23,26-27H,5,12-14,19-22H2,1-4H3/t23-,26-,27?/m1/s1.
What are the key properties of [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane?
[(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane has a molecular weight of 495.74 g/mol, XLogP of 6.20, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-azido-3-(oxan-2-yloxymethyl)hexoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 11656197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).