3-azidopropyl(trihydroxy)silane

C3H9N3O3Si — CID 135039230

IUPAC3-azidopropyl(trihydroxy)silane
SMILES[N-]=[N+]=NCCC[Si](O)(O)O
InChIInChI=1S/C3H9N3O3Si/c4-6-5-2-1-3-10(7,8)9/h7-9H,1-3H2
InChIKeyBECXICQGLHKFQX-UHFFFAOYSA-N
MW163.21 g/mol
LogP-0.40
Rot. Bonds4

About 3-azidopropyl(trihydroxy)silane

3-azidopropyl(trihydroxy)silane (PubChem CID 135039230) has the molecular formula C3H9N3O3Si and a molecular weight of 163.21 g/mol. Its IUPAC name is 3-azidopropyl(trihydroxy)silane.

Molecular Properties

Compound Name3-azidopropyl(trihydroxy)silane
PubChem CID135039230
Molecular FormulaC3H9N3O3Si
Molecular Weight163.21 g/mol
Exact Mass163.04
IUPAC Name3-azidopropyl(trihydroxy)silane
SMILES[N-]=[N+]=NCCC[Si](O)(O)O
InChIInChI=1S/C3H9N3O3Si/c4-6-5-2-1-3-10(7,8)9/h7-9H,1-3H2
InChIKeyBECXICQGLHKFQX-UHFFFAOYSA-N
XLogP-0.40
TPSA109.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azidopropyl(trihydroxy)silane?
The IUPAC name of 3-azidopropyl(trihydroxy)silane (CID 135039230) is 3-azidopropyl(trihydroxy)silane.
What is the SMILES notation for 3-azidopropyl(trihydroxy)silane?
The canonical SMILES for 3-azidopropyl(trihydroxy)silane is [N-]=[N+]=NCCC[Si](O)(O)O.
What is the InChIKey of 3-azidopropyl(trihydroxy)silane?
The InChIKey is BECXICQGLHKFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O3Si/c4-6-5-2-1-3-10(7,8)9/h7-9H,1-3H2.
What are the key properties of 3-azidopropyl(trihydroxy)silane?
3-azidopropyl(trihydroxy)silane has a molecular weight of 163.21 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidopropyl(trihydroxy)silane is sourced from PubChem (CID 135039230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).