3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile

C17H23NO2Si — CID 10924629

IUPAC3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile
SMILESCC1=CCC(C)(C#N)C(O[Si](C)(C)C)(c2ccccc2)O1
InChIInChI=1S/C17H23NO2Si/c1-14-11-12-16(2,13-18)17(19-14,20-21(3,4)5)15-9-7-6-8-10-15/h6-11H,12H2,1-5H3
InChIKeyZOIOXJSQJNYUDQ-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.54
Rot. Bonds3

About 3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile

3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile (PubChem CID 10924629) has the molecular formula C17H23NO2Si and a molecular weight of 301.46 g/mol. Its IUPAC name is 3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile.

Molecular Properties

Compound Name3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile
PubChem CID10924629
Molecular FormulaC17H23NO2Si
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile
SMILESCC1=CCC(C)(C#N)C(O[Si](C)(C)C)(c2ccccc2)O1
InChIInChI=1S/C17H23NO2Si/c1-14-11-12-16(2,13-18)17(19-14,20-21(3,4)5)15-9-7-6-8-10-15/h6-11H,12H2,1-5H3
InChIKeyZOIOXJSQJNYUDQ-UHFFFAOYSA-N
XLogP4.54
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.54
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 3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile?
The IUPAC name of 3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile (CID 10924629) is 3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile.
What is the SMILES notation for 3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile?
The canonical SMILES for 3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile is CC1=CCC(C)(C#N)C(O[Si](C)(C)C)(c2ccccc2)O1.
What is the InChIKey of 3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile?
The InChIKey is ZOIOXJSQJNYUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2Si/c1-14-11-12-16(2,13-18)17(19-14,20-21(3,4)5)15-9-7-6-8-10-15/h6-11H,12H2,1-5H3.
What are the key properties of 3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile?
3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile has a molecular weight of 301.46 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-phenyl-2-trimethylsilyloxy-4H-pyran-3-carbonitrile is sourced from PubChem (CID 10924629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).