2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane

C14H19N3OSi — CID 102501795

IUPAC2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccccc1OCCCN=[N+]=[N-]
InChIInChI=1S/C14H19N3OSi/c1-19(2,3)12-9-13-7-4-5-8-14(13)18-11-6-10-16-17-15/h4-5,7-8H,6,10-11H2,1-3H3
InChIKeyMMPABYPOUFKKAL-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.99
Rot. Bonds5

About 2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane

2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane (PubChem CID 102501795) has the molecular formula C14H19N3OSi and a molecular weight of 273.41 g/mol. Its IUPAC name is 2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane
PubChem CID102501795
Molecular FormulaC14H19N3OSi
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccccc1OCCCN=[N+]=[N-]
InChIInChI=1S/C14H19N3OSi/c1-19(2,3)12-9-13-7-4-5-8-14(13)18-11-6-10-16-17-15/h4-5,7-8H,6,10-11H2,1-3H3
InChIKeyMMPABYPOUFKKAL-UHFFFAOYSA-N
XLogP3.99
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane (CID 102501795) is 2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccccc1OCCCN=[N+]=[N-].
What is the InChIKey of 2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane?
The InChIKey is MMPABYPOUFKKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OSi/c1-19(2,3)12-9-13-7-4-5-8-14(13)18-11-6-10-16-17-15/h4-5,7-8H,6,10-11H2,1-3H3.
What are the key properties of 2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane?
2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane has a molecular weight of 273.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-azidopropoxy)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 102501795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).