ethyl acetate;3-triethoxysilylpropanoic acid

C13H28O7Si — CID 175314262

IUPACethyl acetate;3-triethoxysilylpropanoic acid
SMILESCCOC(C)=O.CCO[Si](CCC(=O)O)(OCC)OCC
InChIInChI=1S/C9H20O5Si.C4H8O2/c1-4-12-15(13-5-2,14-6-3)8-7-9(10)11;1-3-6-4(2)5/h4-8H2,1-3H3,(H,10,11);3H2,1-2H3
InChIKeyTVUKGDHMJYXBMT-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.08
Rot. Bonds10

About ethyl acetate;3-triethoxysilylpropanoic acid

ethyl acetate;3-triethoxysilylpropanoic acid (PubChem CID 175314262) has the molecular formula C13H28O7Si and a molecular weight of 324.45 g/mol. Its IUPAC name is ethyl acetate;3-triethoxysilylpropanoic acid.

Molecular Properties

Compound Nameethyl acetate;3-triethoxysilylpropanoic acid
PubChem CID175314262
Molecular FormulaC13H28O7Si
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Nameethyl acetate;3-triethoxysilylpropanoic acid
SMILESCCOC(C)=O.CCO[Si](CCC(=O)O)(OCC)OCC
InChIInChI=1S/C9H20O5Si.C4H8O2/c1-4-12-15(13-5-2,14-6-3)8-7-9(10)11;1-3-6-4(2)5/h4-8H2,1-3H3,(H,10,11);3H2,1-2H3
InChIKeyTVUKGDHMJYXBMT-UHFFFAOYSA-N
XLogP2.08
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 87685990
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CID 157409555
CID 157409555
ethyl acetate;octacontahydrate
CID 173077486
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Frequently Asked Questions

What is the IUPAC name of ethyl acetate;3-triethoxysilylpropanoic acid?
The IUPAC name of ethyl acetate;3-triethoxysilylpropanoic acid (CID 175314262) is ethyl acetate;3-triethoxysilylpropanoic acid.
What is the SMILES notation for ethyl acetate;3-triethoxysilylpropanoic acid?
The canonical SMILES for ethyl acetate;3-triethoxysilylpropanoic acid is CCOC(C)=O.CCO[Si](CCC(=O)O)(OCC)OCC.
What is the InChIKey of ethyl acetate;3-triethoxysilylpropanoic acid?
The InChIKey is TVUKGDHMJYXBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5Si.C4H8O2/c1-4-12-15(13-5-2,14-6-3)8-7-9(10)11;1-3-6-4(2)5/h4-8H2,1-3H3,(H,10,11);3H2,1-2H3.
What are the key properties of ethyl acetate;3-triethoxysilylpropanoic acid?
ethyl acetate;3-triethoxysilylpropanoic acid has a molecular weight of 324.45 g/mol, XLogP of 2.08, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;3-triethoxysilylpropanoic acid is sourced from PubChem (CID 175314262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).