4-(1-trimethylsilyloxybut-3-enyl)benzonitrile

C14H19NOSi — CID 132540414

IUPAC4-(1-trimethylsilyloxybut-3-enyl)benzonitrile
SMILESC=CCC(O[Si](C)(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C14H19NOSi/c1-5-6-14(16-17(2,3)4)13-9-7-12(11-15)8-10-13/h5,7-10,14H,1,6H2,2-4H3
InChIKeyIDZOVOLOPWXDSI-UHFFFAOYSA-N
MW245.40 g/mol
LogP4.03
Rot. Bonds5

About 4-(1-trimethylsilyloxybut-3-enyl)benzonitrile

4-(1-trimethylsilyloxybut-3-enyl)benzonitrile (PubChem CID 132540414) has the molecular formula C14H19NOSi and a molecular weight of 245.40 g/mol. Its IUPAC name is 4-(1-trimethylsilyloxybut-3-enyl)benzonitrile.

Molecular Properties

Compound Name4-(1-trimethylsilyloxybut-3-enyl)benzonitrile
PubChem CID132540414
Molecular FormulaC14H19NOSi
Molecular Weight245.40 g/mol
Exact Mass245.12
IUPAC Name4-(1-trimethylsilyloxybut-3-enyl)benzonitrile
SMILESC=CCC(O[Si](C)(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C14H19NOSi/c1-5-6-14(16-17(2,3)4)13-9-7-12(11-15)8-10-13/h5,7-10,14H,1,6H2,2-4H3
InChIKeyIDZOVOLOPWXDSI-UHFFFAOYSA-N
XLogP4.03
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-trimethylsilyloxybut-3-enyl)benzonitrile?
The IUPAC name of 4-(1-trimethylsilyloxybut-3-enyl)benzonitrile (CID 132540414) is 4-(1-trimethylsilyloxybut-3-enyl)benzonitrile.
What is the SMILES notation for 4-(1-trimethylsilyloxybut-3-enyl)benzonitrile?
The canonical SMILES for 4-(1-trimethylsilyloxybut-3-enyl)benzonitrile is C=CCC(O[Si](C)(C)C)c1ccc(C#N)cc1.
What is the InChIKey of 4-(1-trimethylsilyloxybut-3-enyl)benzonitrile?
The InChIKey is IDZOVOLOPWXDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOSi/c1-5-6-14(16-17(2,3)4)13-9-7-12(11-15)8-10-13/h5,7-10,14H,1,6H2,2-4H3.
What are the key properties of 4-(1-trimethylsilyloxybut-3-enyl)benzonitrile?
4-(1-trimethylsilyloxybut-3-enyl)benzonitrile has a molecular weight of 245.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-trimethylsilyloxybut-3-enyl)benzonitrile is sourced from PubChem (CID 132540414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).