butyl 3-triethoxysilylpropanoate

C13H28O5Si — CID 138965857

IUPACbutyl 3-triethoxysilylpropanoate
SMILESCCCCOC(=O)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H28O5Si/c1-5-9-11-15-13(14)10-12-19(16-6-2,17-7-3)18-8-4/h5-12H2,1-4H3
InChIKeyFNDGXVBYOMLRBS-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.77
Rot. Bonds12

About butyl 3-triethoxysilylpropanoate

butyl 3-triethoxysilylpropanoate (PubChem CID 138965857) has the molecular formula C13H28O5Si and a molecular weight of 292.45 g/mol. Its IUPAC name is butyl 3-triethoxysilylpropanoate.

Molecular Properties

Compound Namebutyl 3-triethoxysilylpropanoate
PubChem CID138965857
Molecular FormulaC13H28O5Si
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Namebutyl 3-triethoxysilylpropanoate
SMILESCCCCOC(=O)CC[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H28O5Si/c1-5-9-11-15-13(14)10-12-19(16-6-2,17-7-3)18-8-4/h5-12H2,1-4H3
InChIKeyFNDGXVBYOMLRBS-UHFFFAOYSA-N
XLogP2.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 butyl 3-triethoxysilylpropanoate?
The IUPAC name of butyl 3-triethoxysilylpropanoate (CID 138965857) is butyl 3-triethoxysilylpropanoate.
What is the SMILES notation for butyl 3-triethoxysilylpropanoate?
The canonical SMILES for butyl 3-triethoxysilylpropanoate is CCCCOC(=O)CC[Si](OCC)(OCC)OCC.
What is the InChIKey of butyl 3-triethoxysilylpropanoate?
The InChIKey is FNDGXVBYOMLRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O5Si/c1-5-9-11-15-13(14)10-12-19(16-6-2,17-7-3)18-8-4/h5-12H2,1-4H3.
What are the key properties of butyl 3-triethoxysilylpropanoate?
butyl 3-triethoxysilylpropanoate has a molecular weight of 292.45 g/mol, XLogP of 2.77, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-triethoxysilylpropanoate is sourced from PubChem (CID 138965857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).