[(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane

C22H29N3O2Si — CID 86709003

IUPAC[(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1OCCC[C@@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3O2Si/c1-22(2,3)28(18-11-6-4-7-12-18,19-13-8-5-9-14-19)27-17-21-20(24-25-23)15-10-16-26-21/h4-9,11-14,20-21H,10,15-17H2,1-3H3/t20-,21+/m0/s1
InChIKeyXZBFGGDTPVNHJA-LEWJYISDSA-N
MW395.58 g/mol
LogP4.42
Rot. Bonds6

About [(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane

[(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 86709003) has the molecular formula C22H29N3O2Si and a molecular weight of 395.58 g/mol. Its IUPAC name is [(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID86709003
Molecular FormulaC22H29N3O2Si
Molecular Weight395.58 g/mol
Exact Mass395.20
IUPAC Name[(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1OCCC[C@@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29N3O2Si/c1-22(2,3)28(18-11-6-4-7-12-18,19-13-8-5-9-14-19)27-17-21-20(24-25-23)15-10-16-26-21/h4-9,11-14,20-21H,10,15-17H2,1-3H3/t20-,21+/m0/s1
InChIKeyXZBFGGDTPVNHJA-LEWJYISDSA-N
XLogP4.42
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.58
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane (CID 86709003) is [(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@H]1OCCC[C@@H]1N=[N+]=[N-])(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is XZBFGGDTPVNHJA-LEWJYISDSA-N. The full InChI is InChI=1S/C22H29N3O2Si/c1-22(2,3)28(18-11-6-4-7-12-18,19-13-8-5-9-14-19)27-17-21-20(24-25-23)15-10-16-26-21/h4-9,11-14,20-21H,10,15-17H2,1-3H3/t20-,21+/m0/s1.
What are the key properties of [(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 395.58 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-azidooxan-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 86709003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).