4-triethylsilylcarbonylbenzonitrile

C14H19NOSi — CID 11413901

IUPAC4-triethylsilylcarbonylbenzonitrile
SMILESCC[Si](CC)(CC)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H19NOSi/c1-4-17(5-2,6-3)14(16)13-9-7-12(11-15)8-10-13/h7-10H,4-6H2,1-3H3
InChIKeyOEPXPCUARKHTFM-UHFFFAOYSA-N
MW245.40 g/mol
LogP3.79
Rot. Bonds5

About 4-triethylsilylcarbonylbenzonitrile

4-triethylsilylcarbonylbenzonitrile (PubChem CID 11413901) has the molecular formula C14H19NOSi and a molecular weight of 245.40 g/mol. Its IUPAC name is 4-triethylsilylcarbonylbenzonitrile.

Molecular Properties

Compound Name4-triethylsilylcarbonylbenzonitrile
PubChem CID11413901
Molecular FormulaC14H19NOSi
Molecular Weight245.40 g/mol
Exact Mass245.12
IUPAC Name4-triethylsilylcarbonylbenzonitrile
SMILESCC[Si](CC)(CC)C(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H19NOSi/c1-4-17(5-2,6-3)14(16)13-9-7-12(11-15)8-10-13/h7-10H,4-6H2,1-3H3
InChIKeyOEPXPCUARKHTFM-UHFFFAOYSA-N
XLogP3.79
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-difluoro-1-triethylsilylethenyl)benzonitrile
CID 71552314
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
4-[dimethyl(phenyl)silyl]carbonylbenzonitrile
CID 14937840
2-(4-cyanobenzoyl)butanoic acid
CID 67830865
4-cyanobenzoyl bromide
CID 22321969
4-[12-(4-cyanophenyl)-12-oxododecanoyl]benzonitrile
CID 143092432
ethyl 4-(4-cyanobenzoyl)benzoate
CID 11471481
4-(4-propanoylphenoxy)benzonitrile
CID 103604232
4-(2-hydroxy-2-methylpropanoyl)benzonitrile
CID 13026809
4-(4-cyanophenyl)benzoic acid;ethane
CID 143220259
4-(3-ethylimidazole-4-carbonyl)benzonitrile
CID 71711430
pentyl 4-cyanobenzoate
CID 531615

Frequently Asked Questions

What is the IUPAC name of 4-triethylsilylcarbonylbenzonitrile?
The IUPAC name of 4-triethylsilylcarbonylbenzonitrile (CID 11413901) is 4-triethylsilylcarbonylbenzonitrile.
What is the SMILES notation for 4-triethylsilylcarbonylbenzonitrile?
The canonical SMILES for 4-triethylsilylcarbonylbenzonitrile is CC[Si](CC)(CC)C(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-triethylsilylcarbonylbenzonitrile?
The InChIKey is OEPXPCUARKHTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOSi/c1-4-17(5-2,6-3)14(16)13-9-7-12(11-15)8-10-13/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-triethylsilylcarbonylbenzonitrile?
4-triethylsilylcarbonylbenzonitrile has a molecular weight of 245.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triethylsilylcarbonylbenzonitrile is sourced from PubChem (CID 11413901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).