(Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile

C16H23NOSi — CID 53344193

IUPAC(Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1C/C=C\C#N
InChIInChI=1S/C16H23NOSi/c1-16(2,3)19(4,5)18-15-12-7-6-10-14(15)11-8-9-13-17/h6-10,12H,11H2,1-5H3/b9-8-
InChIKeyASZCMWFFTXKEGS-HJWRWDBZSA-N
MW273.45 g/mol
LogP4.69
Rot. Bonds4

About (Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile

(Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile (PubChem CID 53344193) has the molecular formula C16H23NOSi and a molecular weight of 273.45 g/mol. Its IUPAC name is (Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile.

Molecular Properties

Compound Name(Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
PubChem CID53344193
Molecular FormulaC16H23NOSi
Molecular Weight273.45 g/mol
Exact Mass273.15
IUPAC Name(Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1C/C=C\C#N
InChIInChI=1S/C16H23NOSi/c1-16(2,3)19(4,5)18-15-12-7-6-10-14(15)11-8-9-13-17/h6-10,12H,11H2,1-5H3/b9-8-
InChIKeyASZCMWFFTXKEGS-HJWRWDBZSA-N
XLogP4.69
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 54.69
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)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile?
The IUPAC name of (Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile (CID 53344193) is (Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile.
What is the SMILES notation for (Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile?
The canonical SMILES for (Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile is CC(C)(C)[Si](C)(C)Oc1ccccc1C/C=C\C#N.
What is the InChIKey of (Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile?
The InChIKey is ASZCMWFFTXKEGS-HJWRWDBZSA-N. The full InChI is InChI=1S/C16H23NOSi/c1-16(2,3)19(4,5)18-15-12-7-6-10-14(15)11-8-9-13-17/h6-10,12H,11H2,1-5H3/b9-8-.
What are the key properties of (Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile?
(Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile has a molecular weight of 273.45 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile is sourced from PubChem (CID 53344193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).