3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile

C15H21NO2Si — CID 69026897

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile
SMILESCC(C)(C)[Si](C)(C)OCC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H21NO2Si/c1-15(2,3)19(4,5)18-11-14(17)13-8-6-7-12(9-13)10-16/h6-9H,11H2,1-5H3
InChIKeyKQEMHGQGXVVRFN-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.76
Rot. Bonds4

About 3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile

3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile (PubChem CID 69026897) has the molecular formula C15H21NO2Si and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile
PubChem CID69026897
Molecular FormulaC15H21NO2Si
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile
SMILESCC(C)(C)[Si](C)(C)OCC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H21NO2Si/c1-15(2,3)19(4,5)18-11-14(17)13-8-6-7-12(9-13)10-16/h6-9H,11H2,1-5H3
InChIKeyKQEMHGQGXVVRFN-UHFFFAOYSA-N
XLogP3.76
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile
CID 22050298
3-(2-cyanoacetyl)benzonitrile
CID 23423882
3-(3-methylbutanoyl)benzonitrile
CID 58853951
3-(4-oxopentanoyl)benzonitrile
CID 43608274
methyl 4-(3-cyanophenyl)-2,4-dioxobutanoate
CID 63990922
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
3-(3-aminopropanoyl)benzonitrile
CID 117277123
3-(3-oxopentanoyl)benzonitrile
CID 63990730
3-[2-(2-iodophenoxy)acetyl]benzonitrile
CID 166021425
3-cyanobenzoic acid;silver
CID 88821173
3-(3-bromopropanoyl)benzonitrile
CID 91338411
N,N-ditert-butyl-3-cyanobenzamide
CID 59614204

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile (CID 69026897) is 3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile is CC(C)(C)[Si](C)(C)OCC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile?
The InChIKey is KQEMHGQGXVVRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2Si/c1-15(2,3)19(4,5)18-11-14(17)13-8-6-7-12(9-13)10-16/h6-9H,11H2,1-5H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile?
3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile has a molecular weight of 275.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile is sourced from PubChem (CID 69026897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).