2-methyl-2-trimethylsilyloxybut-3-enenitrile

C8H15NOSi — CID 12633136

IUPAC2-methyl-2-trimethylsilyloxybut-3-enenitrile
SMILESC=CC(C)(C#N)O[Si](C)(C)C
InChIInChI=1S/C8H15NOSi/c1-6-8(2,7-9)10-11(3,4)5/h6H,1H2,2-5H3
InChIKeyPCJPCNXXECVCLU-UHFFFAOYSA-N
MW169.30 g/mol
LogP2.31
Rot. Bonds3

About 2-methyl-2-trimethylsilyloxybut-3-enenitrile

2-methyl-2-trimethylsilyloxybut-3-enenitrile (PubChem CID 12633136) has the molecular formula C8H15NOSi and a molecular weight of 169.30 g/mol. Its IUPAC name is 2-methyl-2-trimethylsilyloxybut-3-enenitrile.

Molecular Properties

Compound Name2-methyl-2-trimethylsilyloxybut-3-enenitrile
PubChem CID12633136
Molecular FormulaC8H15NOSi
Molecular Weight169.30 g/mol
Exact Mass169.09
IUPAC Name2-methyl-2-trimethylsilyloxybut-3-enenitrile
SMILESC=CC(C)(C#N)O[Si](C)(C)C
InChIInChI=1S/C8H15NOSi/c1-6-8(2,7-9)10-11(3,4)5/h6H,1H2,2-5H3
InChIKeyPCJPCNXXECVCLU-UHFFFAOYSA-N
XLogP2.31
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.30
LogP ≤ 52.31
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-methyl-2-trimethylsilyloxybut-3-enenitrile?
The IUPAC name of 2-methyl-2-trimethylsilyloxybut-3-enenitrile (CID 12633136) is 2-methyl-2-trimethylsilyloxybut-3-enenitrile.
What is the SMILES notation for 2-methyl-2-trimethylsilyloxybut-3-enenitrile?
The canonical SMILES for 2-methyl-2-trimethylsilyloxybut-3-enenitrile is C=CC(C)(C#N)O[Si](C)(C)C.
What is the InChIKey of 2-methyl-2-trimethylsilyloxybut-3-enenitrile?
The InChIKey is PCJPCNXXECVCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOSi/c1-6-8(2,7-9)10-11(3,4)5/h6H,1H2,2-5H3.
What are the key properties of 2-methyl-2-trimethylsilyloxybut-3-enenitrile?
2-methyl-2-trimethylsilyloxybut-3-enenitrile has a molecular weight of 169.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-trimethylsilyloxybut-3-enenitrile is sourced from PubChem (CID 12633136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).