[1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane

C13H19NOSi — CID 134997319

IUPAC[1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane
SMILES[C-]#[N+]C(C)(O[Si](C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C13H19NOSi/c1-11-7-9-12(10-8-11)13(2,14-3)15-16(4,5)6/h7-10H,1-2,4-6H3
InChIKeyXFOIMWWNLDAIQQ-UHFFFAOYSA-N
MW233.39 g/mol
LogP3.94
Rot. Bonds3

About [1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane

[1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane (PubChem CID 134997319) has the molecular formula C13H19NOSi and a molecular weight of 233.39 g/mol. Its IUPAC name is [1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane
PubChem CID134997319
Molecular FormulaC13H19NOSi
Molecular Weight233.39 g/mol
Exact Mass233.12
IUPAC Name[1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane
SMILES[C-]#[N+]C(C)(O[Si](C)(C)C)c1ccc(C)cc1
InChIInChI=1S/C13H19NOSi/c1-11-7-9-12(10-8-11)13(2,14-3)15-16(4,5)6/h7-10H,1-2,4-6H3
InChIKeyXFOIMWWNLDAIQQ-UHFFFAOYSA-N
XLogP3.94
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane?
The IUPAC name of [1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane (CID 134997319) is [1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane.
What is the SMILES notation for [1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane?
The canonical SMILES for [1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane is [C-]#[N+]C(C)(O[Si](C)(C)C)c1ccc(C)cc1.
What is the InChIKey of [1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane?
The InChIKey is XFOIMWWNLDAIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOSi/c1-11-7-9-12(10-8-11)13(2,14-3)15-16(4,5)6/h7-10H,1-2,4-6H3.
What are the key properties of [1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane?
[1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane has a molecular weight of 233.39 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-isocyano-1-(4-methylphenyl)ethoxy]-trimethylsilane is sourced from PubChem (CID 134997319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).