2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane

C13H17N3Si — CID 56955481

IUPAC2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccccc1CCN=[N+]=[N-]
InChIInChI=1S/C13H17N3Si/c1-17(2,3)11-9-13-7-5-4-6-12(13)8-10-15-16-14/h4-7H,8,10H2,1-3H3
InChIKeyYEYQDVOIRYMYRX-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.77
Rot. Bonds3

About 2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane

2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane (PubChem CID 56955481) has the molecular formula C13H17N3Si and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane
PubChem CID56955481
Molecular FormulaC13H17N3Si
Molecular Weight243.39 g/mol
Exact Mass243.12
IUPAC Name2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1ccccc1CCN=[N+]=[N-]
InChIInChI=1S/C13H17N3Si/c1-17(2,3)11-9-13-7-5-4-6-12(13)8-10-15-16-14/h4-7H,8,10H2,1-3H3
InChIKeyYEYQDVOIRYMYRX-UHFFFAOYSA-N
XLogP3.77
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane (CID 56955481) is 2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1ccccc1CCN=[N+]=[N-].
What is the InChIKey of 2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane?
The InChIKey is YEYQDVOIRYMYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3Si/c1-17(2,3)11-9-13-7-5-4-6-12(13)8-10-15-16-14/h4-7H,8,10H2,1-3H3.
What are the key properties of 2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane?
2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane has a molecular weight of 243.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-azidoethyl)phenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 56955481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).