ethyl 4-triethoxysilylbutanoate

C12H26O5Si — CID 15390372

IUPACethyl 4-triethoxysilylbutanoate
SMILESCCOC(=O)CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H26O5Si/c1-5-14-12(13)10-9-11-18(15-6-2,16-7-3)17-8-4/h5-11H2,1-4H3
InChIKeyADOGDULNKDDPLG-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.38
Rot. Bonds11

About ethyl 4-triethoxysilylbutanoate

ethyl 4-triethoxysilylbutanoate (PubChem CID 15390372) has the molecular formula C12H26O5Si and a molecular weight of 278.42 g/mol. Its IUPAC name is ethyl 4-triethoxysilylbutanoate.

Molecular Properties

Compound Nameethyl 4-triethoxysilylbutanoate
PubChem CID15390372
Molecular FormulaC12H26O5Si
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Nameethyl 4-triethoxysilylbutanoate
SMILESCCOC(=O)CCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H26O5Si/c1-5-14-12(13)10-9-11-18(15-6-2,16-7-3)17-8-4/h5-11H2,1-4H3
InChIKeyADOGDULNKDDPLG-UHFFFAOYSA-N
XLogP2.38
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-triethoxysilylbutanoate?
The IUPAC name of ethyl 4-triethoxysilylbutanoate (CID 15390372) is ethyl 4-triethoxysilylbutanoate.
What is the SMILES notation for ethyl 4-triethoxysilylbutanoate?
The canonical SMILES for ethyl 4-triethoxysilylbutanoate is CCOC(=O)CCC[Si](OCC)(OCC)OCC.
What is the InChIKey of ethyl 4-triethoxysilylbutanoate?
The InChIKey is ADOGDULNKDDPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si/c1-5-14-12(13)10-9-11-18(15-6-2,16-7-3)17-8-4/h5-11H2,1-4H3.
What are the key properties of ethyl 4-triethoxysilylbutanoate?
ethyl 4-triethoxysilylbutanoate has a molecular weight of 278.42 g/mol, XLogP of 2.38, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-triethoxysilylbutanoate is sourced from PubChem (CID 15390372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).