4-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)butanenitrile

C16H24ClNOSi — CID 18354490

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)butanenitrile
SMILESCC(C)(C)[Si](C)(C)OCCC(C#N)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNOSi/c1-16(2,3)20(4,5)19-11-10-14(12-18)13-6-8-15(17)9-7-13/h6-9,14H,10-11H2,1-5H3
InChIKeyHUWYFNLIPQXJBB-UHFFFAOYSA-N
MW309.91 g/mol
LogP5.36
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)butanenitrile

4-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)butanenitrile (PubChem CID 18354490) has the molecular formula C16H24ClNOSi and a molecular weight of 309.91 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)butanenitrile.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)butanenitrile
PubChem CID18354490
Molecular FormulaC16H24ClNOSi
Molecular Weight309.91 g/mol
Exact Mass309.13
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)butanenitrile
SMILESCC(C)(C)[Si](C)(C)OCCC(C#N)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNOSi/c1-16(2,3)20(4,5)19-11-10-14(12-18)13-6-8-15(17)9-7-13/h6-9,14H,10-11H2,1-5H3
InChIKeyHUWYFNLIPQXJBB-UHFFFAOYSA-N
XLogP5.36
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.91
LogP ≤ 55.36
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]oxy-2-(4-chlorophenyl)butanenitrile?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)butanenitrile (CID 18354490) is 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)butanenitrile.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)butanenitrile?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)butanenitrile is CC(C)(C)[Si](C)(C)OCCC(C#N)c1ccc(Cl)cc1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)butanenitrile?
The InChIKey is HUWYFNLIPQXJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNOSi/c1-16(2,3)20(4,5)19-11-10-14(12-18)13-6-8-15(17)9-7-13/h6-9,14H,10-11H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)butanenitrile?
4-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)butanenitrile has a molecular weight of 309.91 g/mol, XLogP of 5.36, 5 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]oxy-2-(4-chlorophenyl)butanenitrile is sourced from PubChem (CID 18354490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).