2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile

C16H25NO2Si — CID 174024989

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile
SMILESCc1ccc(OCC(C#N)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2Si/c1-13-7-9-14(10-8-13)18-12-15(11-17)19-20(5,6)16(2,3)4/h7-10,15H,12H2,1-6H3
InChIKeyWOMIJZINNUVKPD-UHFFFAOYSA-N
MW291.47 g/mol
LogP4.29
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile

2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile (PubChem CID 174024989) has the molecular formula C16H25NO2Si and a molecular weight of 291.47 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile
PubChem CID174024989
Molecular FormulaC16H25NO2Si
Molecular Weight291.47 g/mol
Exact Mass291.17
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile
SMILESCc1ccc(OCC(C#N)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H25NO2Si/c1-13-7-9-14(10-8-13)18-12-15(11-17)19-20(5,6)16(2,3)4/h7-10,15H,12H2,1-6H3
InChIKeyWOMIJZINNUVKPD-UHFFFAOYSA-N
XLogP4.29
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile (CID 174024989) is 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile is Cc1ccc(OCC(C#N)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile?
The InChIKey is WOMIJZINNUVKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2Si/c1-13-7-9-14(10-8-13)18-12-15(11-17)19-20(5,6)16(2,3)4/h7-10,15H,12H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile?
2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile has a molecular weight of 291.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-3-(4-methylphenoxy)propanenitrile is sourced from PubChem (CID 174024989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).