4-(2-triethylsilylethoxy)butyl acetate

C14H30O3Si — CID 18469580

IUPAC4-(2-triethylsilylethoxy)butyl acetate
SMILESCC[Si](CC)(CC)CCOCCCCOC(C)=O
InChIInChI=1S/C14H30O3Si/c1-5-18(6-2,7-3)13-12-16-10-8-9-11-17-14(4)15/h5-13H2,1-4H3
InChIKeyXZOWAQYJWIKRCK-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.85
Rot. Bonds11

About 4-(2-triethylsilylethoxy)butyl acetate

4-(2-triethylsilylethoxy)butyl acetate (PubChem CID 18469580) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is 4-(2-triethylsilylethoxy)butyl acetate.

Molecular Properties

Compound Name4-(2-triethylsilylethoxy)butyl acetate
PubChem CID18469580
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name4-(2-triethylsilylethoxy)butyl acetate
SMILESCC[Si](CC)(CC)CCOCCCCOC(C)=O
InChIInChI=1S/C14H30O3Si/c1-5-18(6-2,7-3)13-12-16-10-8-9-11-17-14(4)15/h5-13H2,1-4H3
InChIKeyXZOWAQYJWIKRCK-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.85
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 4-(2-triethylsilylethoxy)butyl acetate?
The IUPAC name of 4-(2-triethylsilylethoxy)butyl acetate (CID 18469580) is 4-(2-triethylsilylethoxy)butyl acetate.
What is the SMILES notation for 4-(2-triethylsilylethoxy)butyl acetate?
The canonical SMILES for 4-(2-triethylsilylethoxy)butyl acetate is CC[Si](CC)(CC)CCOCCCCOC(C)=O.
What is the InChIKey of 4-(2-triethylsilylethoxy)butyl acetate?
The InChIKey is XZOWAQYJWIKRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-5-18(6-2,7-3)13-12-16-10-8-9-11-17-14(4)15/h5-13H2,1-4H3.
What are the key properties of 4-(2-triethylsilylethoxy)butyl acetate?
4-(2-triethylsilylethoxy)butyl acetate has a molecular weight of 274.48 g/mol, XLogP of 3.85, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-triethylsilylethoxy)butyl acetate is sourced from PubChem (CID 18469580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).