2-cyanoethylsilyl 2-methylpropanoate

C7H13NO2Si — CID 154335729

IUPAC2-cyanoethylsilyl 2-methylpropanoate
SMILESCC(C)C(=O)O[SiH2]CCC#N
InChIInChI=1S/C7H13NO2Si/c1-6(2)7(9)10-11-5-3-4-8/h6H,3,5,11H2,1-2H3
InChIKeySLWVTRYFUWROAX-UHFFFAOYSA-N
MW171.27 g/mol
LogP0.60
Rot. Bonds4

About 2-cyanoethylsilyl 2-methylpropanoate

2-cyanoethylsilyl 2-methylpropanoate (PubChem CID 154335729) has the molecular formula C7H13NO2Si and a molecular weight of 171.27 g/mol. Its IUPAC name is 2-cyanoethylsilyl 2-methylpropanoate.

Molecular Properties

Compound Name2-cyanoethylsilyl 2-methylpropanoate
PubChem CID154335729
Molecular FormulaC7H13NO2Si
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name2-cyanoethylsilyl 2-methylpropanoate
SMILESCC(C)C(=O)O[SiH2]CCC#N
InChIInChI=1S/C7H13NO2Si/c1-6(2)7(9)10-11-5-3-4-8/h6H,3,5,11H2,1-2H3
InChIKeySLWVTRYFUWROAX-UHFFFAOYSA-N
XLogP0.60
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyanoethylsilyl 2-methylpropanoate?
The IUPAC name of 2-cyanoethylsilyl 2-methylpropanoate (CID 154335729) is 2-cyanoethylsilyl 2-methylpropanoate.
What is the SMILES notation for 2-cyanoethylsilyl 2-methylpropanoate?
The canonical SMILES for 2-cyanoethylsilyl 2-methylpropanoate is CC(C)C(=O)O[SiH2]CCC#N.
What is the InChIKey of 2-cyanoethylsilyl 2-methylpropanoate?
The InChIKey is SLWVTRYFUWROAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2Si/c1-6(2)7(9)10-11-5-3-4-8/h6H,3,5,11H2,1-2H3.
What are the key properties of 2-cyanoethylsilyl 2-methylpropanoate?
2-cyanoethylsilyl 2-methylpropanoate has a molecular weight of 171.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethylsilyl 2-methylpropanoate is sourced from PubChem (CID 154335729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).