(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile

C16H23NOSi — CID 23439964

IUPAC(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
SMILESC/C(=C/C#N)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H23NOSi/c1-13(10-11-17)14-8-7-9-15(12-14)18-19(5,6)16(2,3)4/h7-10,12H,1-6H3/b13-10-
InChIKeyOFCHUKMUJWLILW-RAXLEYEMSA-N
MW273.45 g/mol
LogP5.00
Rot. Bonds3

About (Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile

(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile (PubChem CID 23439964) has the molecular formula C16H23NOSi and a molecular weight of 273.45 g/mol. Its IUPAC name is (Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
PubChem CID23439964
Molecular FormulaC16H23NOSi
Molecular Weight273.45 g/mol
Exact Mass273.15
IUPAC Name(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
SMILESC/C(=C/C#N)c1cccc(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C16H23NOSi/c1-13(10-11-17)14-8-7-9-15(12-14)18-19(5,6)16(2,3)4/h7-10,12H,1-6H3/b13-10-
InChIKeyOFCHUKMUJWLILW-RAXLEYEMSA-N
XLogP5.00
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile?
The IUPAC name of (Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile (CID 23439964) is (Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile.
What is the SMILES notation for (Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile?
The canonical SMILES for (Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile is C/C(=C/C#N)c1cccc(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of (Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile?
The InChIKey is OFCHUKMUJWLILW-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H23NOSi/c1-13(10-11-17)14-8-7-9-15(12-14)18-19(5,6)16(2,3)4/h7-10,12H,1-6H3/b13-10-.
What are the key properties of (Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile?
(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile has a molecular weight of 273.45 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile is sourced from PubChem (CID 23439964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).