4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile

C11H23NO3Si — CID 91694172

IUPAC4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile
SMILESCOCCOCCO[Si](C)(C)CCCC#N
InChIInChI=1S/C11H23NO3Si/c1-13-7-8-14-9-10-15-16(2,3)11-5-4-6-12/h4-5,7-11H2,1-3H3
InChIKeyBAXUQFJCCDMGNR-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.17
Rot. Bonds10

About 4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile

4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile (PubChem CID 91694172) has the molecular formula C11H23NO3Si and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile
PubChem CID91694172
Molecular FormulaC11H23NO3Si
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile
SMILESCOCCOCCO[Si](C)(C)CCCC#N
InChIInChI=1S/C11H23NO3Si/c1-13-7-8-14-9-10-15-16(2,3)11-5-4-6-12/h4-5,7-11H2,1-3H3
InChIKeyBAXUQFJCCDMGNR-UHFFFAOYSA-N
XLogP2.17
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile (CID 91694172) is 4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile is COCCOCCO[Si](C)(C)CCCC#N.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile?
The InChIKey is BAXUQFJCCDMGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3Si/c1-13-7-8-14-9-10-15-16(2,3)11-5-4-6-12/h4-5,7-11H2,1-3H3.
What are the key properties of 4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile?
4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile has a molecular weight of 245.39 g/mol, XLogP of 2.17, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethoxy-dimethylsilyl]butanenitrile is sourced from PubChem (CID 91694172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).