ethyl 2-trimethoxysilylpropanoate

C8H18O5Si — CID 11031450

IUPACethyl 2-trimethoxysilylpropanoate
SMILESCCOC(=O)C(C)[Si](OC)(OC)OC
InChIInChI=1S/C8H18O5Si/c1-6-13-8(9)7(2)14(10-3,11-4)12-5/h7H,6H2,1-5H3
InChIKeyWGDQJBLQZYDQMH-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.82
Rot. Bonds6

About ethyl 2-trimethoxysilylpropanoate

ethyl 2-trimethoxysilylpropanoate (PubChem CID 11031450) has the molecular formula C8H18O5Si and a molecular weight of 222.31 g/mol. Its IUPAC name is ethyl 2-trimethoxysilylpropanoate.

Molecular Properties

Compound Nameethyl 2-trimethoxysilylpropanoate
PubChem CID11031450
Molecular FormulaC8H18O5Si
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Nameethyl 2-trimethoxysilylpropanoate
SMILESCCOC(=O)C(C)[Si](OC)(OC)OC
InChIInChI=1S/C8H18O5Si/c1-6-13-8(9)7(2)14(10-3,11-4)12-5/h7H,6H2,1-5H3
InChIKeyWGDQJBLQZYDQMH-UHFFFAOYSA-N
XLogP0.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.82
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 2-trimethoxysilylpropanoate?
The IUPAC name of ethyl 2-trimethoxysilylpropanoate (CID 11031450) is ethyl 2-trimethoxysilylpropanoate.
What is the SMILES notation for ethyl 2-trimethoxysilylpropanoate?
The canonical SMILES for ethyl 2-trimethoxysilylpropanoate is CCOC(=O)C(C)[Si](OC)(OC)OC.
What is the InChIKey of ethyl 2-trimethoxysilylpropanoate?
The InChIKey is WGDQJBLQZYDQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5Si/c1-6-13-8(9)7(2)14(10-3,11-4)12-5/h7H,6H2,1-5H3.
What are the key properties of ethyl 2-trimethoxysilylpropanoate?
ethyl 2-trimethoxysilylpropanoate has a molecular weight of 222.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-trimethoxysilylpropanoate is sourced from PubChem (CID 11031450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).