3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile

C14H21NOSi — CID 22050298

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(C#N)c1
InChIInChI=1S/C14H21NOSi/c1-14(2,3)17(4,5)16-11-13-8-6-7-12(9-13)10-15/h6-9H,11H2,1-5H3
InChIKeyAWMMPWPVCLDCDU-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.08
Rot. Bonds3

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

3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile (PubChem CID 22050298) has the molecular formula C14H21NOSi and a molecular weight of 247.41 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile
PubChem CID22050298
Molecular FormulaC14H21NOSi
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile
SMILESCC(C)(C)[Si](C)(C)OCc1cccc(C#N)c1
InChIInChI=1S/C14H21NOSi/c1-14(2,3)17(4,5)16-11-13-8-6-7-12(9-13)10-15/h6-9H,11H2,1-5H3
InChIKeyAWMMPWPVCLDCDU-UHFFFAOYSA-N
XLogP4.08
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanamine
CID 22049979
tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
CID 66845200
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile
CID 161218423
3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile
CID 69026897
3-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzonitrile
CID 144882319
3-[(2-amino-2-methylbutoxy)methyl]benzonitrile
CID 64574024
3-[(3-tert-butylphenoxy)methyl]benzonitrile
CID 43238316
3-bromo-5-fluorobenzonitrile;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]boronic acid;3-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-fluorobenzonitrile
CID 159305132
3-(phosphanylmethyl)benzonitrile
CID 143041927
3-(methylaminomethoxymethyl)benzonitrile
CID 175011746
3-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]benzonitrile
CID 70998788
3-(1,1,1-trifluoropropan-2-yloxymethyl)benzonitrile
CID 66275457

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile (CID 22050298) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile is CC(C)(C)[Si](C)(C)OCc1cccc(C#N)c1.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile?
The InChIKey is AWMMPWPVCLDCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOSi/c1-14(2,3)17(4,5)16-11-13-8-6-7-12(9-13)10-15/h6-9H,11H2,1-5H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile has a molecular weight of 247.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile is sourced from PubChem (CID 22050298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).