5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile

C11H14ClNOSi — CID 167727426

IUPAC5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile
SMILESCc1cc(Cl)cc(C#N)c1O[Si](C)(C)C
InChIInChI=1S/C11H14ClNOSi/c1-8-5-10(12)6-9(7-13)11(8)14-15(2,3)4/h5-6H,1-4H3
InChIKeySECDSOUWEIYZKK-UHFFFAOYSA-N
MW239.78 g/mol
LogP3.73
Rot. Bonds2

About 5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile

5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile (PubChem CID 167727426) has the molecular formula C11H14ClNOSi and a molecular weight of 239.78 g/mol. Its IUPAC name is 5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile.

Molecular Properties

Compound Name5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile
PubChem CID167727426
Molecular FormulaC11H14ClNOSi
Molecular Weight239.78 g/mol
Exact Mass239.05
IUPAC Name5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile
SMILESCc1cc(Cl)cc(C#N)c1O[Si](C)(C)C
InChIInChI=1S/C11H14ClNOSi/c1-8-5-10(12)6-9(7-13)11(8)14-15(2,3)4/h5-6H,1-4H3
InChIKeySECDSOUWEIYZKK-UHFFFAOYSA-N
XLogP3.73
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.78
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile?
The IUPAC name of 5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile (CID 167727426) is 5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile.
What is the SMILES notation for 5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile?
The canonical SMILES for 5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile is Cc1cc(Cl)cc(C#N)c1O[Si](C)(C)C.
What is the InChIKey of 5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile?
The InChIKey is SECDSOUWEIYZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOSi/c1-8-5-10(12)6-9(7-13)11(8)14-15(2,3)4/h5-6H,1-4H3.
What are the key properties of 5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile?
5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile has a molecular weight of 239.78 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-2-trimethylsilyloxybenzonitrile is sourced from PubChem (CID 167727426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).