2-trimethylsilyloxybut-3-enenitrile

C7H13NOSi — CID 4084055

IUPAC2-trimethylsilyloxybut-3-enenitrile
SMILESC=CC(C#N)O[Si](C)(C)C
InChIInChI=1S/C7H13NOSi/c1-5-7(6-8)9-10(2,3)4/h5,7H,1H2,2-4H3
InChIKeyOXSYTMGZHPVVMB-UHFFFAOYSA-N
MW155.27 g/mol
LogP1.92
Rot. Bonds3

About 2-trimethylsilyloxybut-3-enenitrile

2-trimethylsilyloxybut-3-enenitrile (PubChem CID 4084055) has the molecular formula C7H13NOSi and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-trimethylsilyloxybut-3-enenitrile.

Molecular Properties

Compound Name2-trimethylsilyloxybut-3-enenitrile
PubChem CID4084055
Molecular FormulaC7H13NOSi
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-trimethylsilyloxybut-3-enenitrile
SMILESC=CC(C#N)O[Si](C)(C)C
InChIInChI=1S/C7H13NOSi/c1-5-7(6-8)9-10(2,3)4/h5,7H,1H2,2-4H3
InChIKeyOXSYTMGZHPVVMB-UHFFFAOYSA-N
XLogP1.92
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.92
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 2-trimethylsilyloxybut-3-enenitrile?
The IUPAC name of 2-trimethylsilyloxybut-3-enenitrile (CID 4084055) is 2-trimethylsilyloxybut-3-enenitrile.
What is the SMILES notation for 2-trimethylsilyloxybut-3-enenitrile?
The canonical SMILES for 2-trimethylsilyloxybut-3-enenitrile is C=CC(C#N)O[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilyloxybut-3-enenitrile?
The InChIKey is OXSYTMGZHPVVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOSi/c1-5-7(6-8)9-10(2,3)4/h5,7H,1H2,2-4H3.
What are the key properties of 2-trimethylsilyloxybut-3-enenitrile?
2-trimethylsilyloxybut-3-enenitrile has a molecular weight of 155.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxybut-3-enenitrile is sourced from PubChem (CID 4084055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).