11-triethoxysilylundecyl acetate

C19H40O5Si — CID 600939

IUPAC11-triethoxysilylundecyl acetate
SMILESCCO[Si](CCCCCCCCCCCOC(C)=O)(OCC)OCC
InChIInChI=1S/C19H40O5Si/c1-5-22-25(23-6-2,24-7-3)18-16-14-12-10-8-9-11-13-15-17-21-19(4)20/h5-18H2,1-4H3
InChIKeyWUHZCNHGBOHDKN-UHFFFAOYSA-N
MW376.61 g/mol
LogP5.11
Rot. Bonds18

About 11-triethoxysilylundecyl acetate

11-triethoxysilylundecyl acetate (PubChem CID 600939) has the molecular formula C19H40O5Si and a molecular weight of 376.61 g/mol. Its IUPAC name is 11-triethoxysilylundecyl acetate.

Molecular Properties

Compound Name11-triethoxysilylundecyl acetate
PubChem CID600939
Molecular FormulaC19H40O5Si
Molecular Weight376.61 g/mol
Exact Mass376.26
IUPAC Name11-triethoxysilylundecyl acetate
SMILESCCO[Si](CCCCCCCCCCCOC(C)=O)(OCC)OCC
InChIInChI=1S/C19H40O5Si/c1-5-22-25(23-6-2,24-7-3)18-16-14-12-10-8-9-11-13-15-17-21-19(4)20/h5-18H2,1-4H3
InChIKeyWUHZCNHGBOHDKN-UHFFFAOYSA-N
XLogP5.11
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.61
LogP ≤ 55.11
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 11-triethoxysilylundecyl acetate?
The IUPAC name of 11-triethoxysilylundecyl acetate (CID 600939) is 11-triethoxysilylundecyl acetate.
What is the SMILES notation for 11-triethoxysilylundecyl acetate?
The canonical SMILES for 11-triethoxysilylundecyl acetate is CCO[Si](CCCCCCCCCCCOC(C)=O)(OCC)OCC.
What is the InChIKey of 11-triethoxysilylundecyl acetate?
The InChIKey is WUHZCNHGBOHDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O5Si/c1-5-22-25(23-6-2,24-7-3)18-16-14-12-10-8-9-11-13-15-17-21-19(4)20/h5-18H2,1-4H3.
What are the key properties of 11-triethoxysilylundecyl acetate?
11-triethoxysilylundecyl acetate has a molecular weight of 376.61 g/mol, XLogP of 5.11, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-triethoxysilylundecyl acetate is sourced from PubChem (CID 600939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).