(2-azido-1-phenylpropan-2-yl)oxy-trimethylsilane

C12H19N3OSi — CID 13330248

IUPAC(2-azido-1-phenylpropan-2-yl)oxy-trimethylsilane
SMILESCC(Cc1ccccc1)(N=[N+]=[N-])O[Si](C)(C)C
InChIInChI=1S/C12H19N3OSi/c1-12(14-15-13,16-17(2,3)4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyAOVJAVHJQYQUQO-UHFFFAOYSA-N
MW249.39 g/mol
LogP4.11
Rot. Bonds5

About (2-azido-1-phenylpropan-2-yl)oxy-trimethylsilane

(2-azido-1-phenylpropan-2-yl)oxy-trimethylsilane (PubChem CID 13330248) has the molecular formula C12H19N3OSi and a molecular weight of 249.39 g/mol. Its IUPAC name is (2-azido-1-phenylpropan-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(2-azido-1-phenylpropan-2-yl)oxy-trimethylsilane
PubChem CID13330248
Molecular FormulaC12H19N3OSi
Molecular Weight249.39 g/mol
Exact Mass249.13
IUPAC Name(2-azido-1-phenylpropan-2-yl)oxy-trimethylsilane
SMILESCC(Cc1ccccc1)(N=[N+]=[N-])O[Si](C)(C)C
InChIInChI=1S/C12H19N3OSi/c1-12(14-15-13,16-17(2,3)4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyAOVJAVHJQYQUQO-UHFFFAOYSA-N
XLogP4.11
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-azido-1-phenylpropan-2-yl)oxy-trimethylsilane?
The IUPAC name of (2-azido-1-phenylpropan-2-yl)oxy-trimethylsilane (CID 13330248) is (2-azido-1-phenylpropan-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (2-azido-1-phenylpropan-2-yl)oxy-trimethylsilane?
The canonical SMILES for (2-azido-1-phenylpropan-2-yl)oxy-trimethylsilane is CC(Cc1ccccc1)(N=[N+]=[N-])O[Si](C)(C)C.
What is the InChIKey of (2-azido-1-phenylpropan-2-yl)oxy-trimethylsilane?
The InChIKey is AOVJAVHJQYQUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OSi/c1-12(14-15-13,16-17(2,3)4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of (2-azido-1-phenylpropan-2-yl)oxy-trimethylsilane?
(2-azido-1-phenylpropan-2-yl)oxy-trimethylsilane has a molecular weight of 249.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azido-1-phenylpropan-2-yl)oxy-trimethylsilane is sourced from PubChem (CID 13330248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).