[(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane

C16H33N3O2Si — CID 149426365

IUPAC[(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
SMILESC[C@@H](CN=[N+]=[N-])[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)C1
InChIInChI=1S/C16H33N3O2Si/c1-12(10-18-19-17)14(13-9-16(5,6)20-11-13)21-22(7,8)15(2,3)4/h12-14H,9-11H2,1-8H3/t12-,13+,14+/m0/s1
InChIKeyYUEJGGMAPUEUQN-BFHYXJOUSA-N
MW327.55 g/mol
LogP5.14
Rot. Bonds6

About [(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane

[(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane (PubChem CID 149426365) has the molecular formula C16H33N3O2Si and a molecular weight of 327.55 g/mol. Its IUPAC name is [(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
PubChem CID149426365
Molecular FormulaC16H33N3O2Si
Molecular Weight327.55 g/mol
Exact Mass327.23
IUPAC Name[(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane
SMILESC[C@@H](CN=[N+]=[N-])[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)C1
InChIInChI=1S/C16H33N3O2Si/c1-12(10-18-19-17)14(13-9-16(5,6)20-11-13)21-22(7,8)15(2,3)4/h12-14H,9-11H2,1-8H3/t12-,13+,14+/m0/s1
InChIKeyYUEJGGMAPUEUQN-BFHYXJOUSA-N
XLogP5.14
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 55.14
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 [(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane (CID 149426365) is [(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane is C[C@@H](CN=[N+]=[N-])[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)C1.
What is the InChIKey of [(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane?
The InChIKey is YUEJGGMAPUEUQN-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H33N3O2Si/c1-12(10-18-19-17)14(13-9-16(5,6)20-11-13)21-22(7,8)15(2,3)4/h12-14H,9-11H2,1-8H3/t12-,13+,14+/m0/s1.
What are the key properties of [(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane?
[(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane has a molecular weight of 327.55 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-3-azido-1-[(3R)-5,5-dimethyloxolan-3-yl]-2-methylpropoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 149426365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).