2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile

C17H25NOSi — CID 70239457

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile
SMILESCC(C)(C)[Si](C)(C)OC=CCCc1ccccc1C#N
InChIInChI=1S/C17H25NOSi/c1-17(2,3)20(4,5)19-13-9-8-11-15-10-6-7-12-16(15)14-18/h6-7,9-10,12-13H,8,11H2,1-5H3
InChIKeyBLQAGDWQXYWSKJ-UHFFFAOYSA-N
MW287.48 g/mol
LogP5.03
Rot. Bonds5

About 2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile

2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile (PubChem CID 70239457) has the molecular formula C17H25NOSi and a molecular weight of 287.48 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile
PubChem CID70239457
Molecular FormulaC17H25NOSi
Molecular Weight287.48 g/mol
Exact Mass287.17
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile
SMILESCC(C)(C)[Si](C)(C)OC=CCCc1ccccc1C#N
InChIInChI=1S/C17H25NOSi/c1-17(2,3)20(4,5)19-13-9-8-11-15-10-6-7-12-16(15)14-18/h6-7,9-10,12-13H,8,11H2,1-5H3
InChIKeyBLQAGDWQXYWSKJ-UHFFFAOYSA-N
XLogP5.03
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[2-(tert-butylamino)ethyl]benzonitrile
CID 107937025
2-(2-aminoethyl)benzonitrile;hydrochloride
CID 50999321
2-[(2-methylpropan-2-yl)oxymethyl]benzonitrile
CID 29001545
2-(2-ethoxyethyl)benzonitrile
CID 134604790
2-(2-bromoethyl)benzonitrile
CID 57227888
2-(2-cyanophenyl)ethyl formate
CID 87149714
2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
(Z)-4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
CID 53344193
tert-butyl-dimethyl-(2-phenylmethoxyethenoxy)silane
CID 10468367
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonitrile
CID 45123455
2-[2-(4-methoxyphenyl)ethyl]benzonitrile
CID 70516707

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile (CID 70239457) is 2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile is CC(C)(C)[Si](C)(C)OC=CCCc1ccccc1C#N.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile?
The InChIKey is BLQAGDWQXYWSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOSi/c1-17(2,3)20(4,5)19-13-9-8-11-15-10-6-7-12-16(15)14-18/h6-7,9-10,12-13H,8,11H2,1-5H3.
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile?
2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile has a molecular weight of 287.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]benzonitrile is sourced from PubChem (CID 70239457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).