4-[tert-butyl(dimethyl)silyl]oxybenzonitrile

C13H19NOSi — CID 532657

IUPAC4-[tert-butyl(dimethyl)silyl]oxybenzonitrile
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C13H19NOSi/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12/h6-9H,1-5H3
InChIKeyFFJFJEYUUBQRSB-UHFFFAOYSA-N
MW233.39 g/mol
LogP3.94
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxybenzonitrile

4-[tert-butyl(dimethyl)silyl]oxybenzonitrile (PubChem CID 532657) has the molecular formula C13H19NOSi and a molecular weight of 233.39 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxybenzonitrile.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxybenzonitrile
PubChem CID532657
Molecular FormulaC13H19NOSi
Molecular Weight233.39 g/mol
Exact Mass233.12
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxybenzonitrile
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C13H19NOSi/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12/h6-9H,1-5H3
InChIKeyFFJFJEYUUBQRSB-UHFFFAOYSA-N
XLogP3.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.39
LogP ≤ 53.94
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 4-[tert-butyl(dimethyl)silyl]oxybenzonitrile?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxybenzonitrile (CID 532657) is 4-[tert-butyl(dimethyl)silyl]oxybenzonitrile.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxybenzonitrile?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxybenzonitrile is CC(C)(C)[Si](C)(C)Oc1ccc(C#N)cc1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxybenzonitrile?
The InChIKey is FFJFJEYUUBQRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOSi/c1-13(2,3)16(4,5)15-12-8-6-11(10-14)7-9-12/h6-9H,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxybenzonitrile?
4-[tert-butyl(dimethyl)silyl]oxybenzonitrile has a molecular weight of 233.39 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxybenzonitrile is sourced from PubChem (CID 532657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).