2-triethoxysilylpropanoate

C9H19O5Si- — CID 22068871

IUPAC2-triethoxysilylpropanoate
SMILESCCO[Si](OCC)(OCC)C(C)C(=O)[O-]
InChIInChI=1S/C9H20O5Si/c1-5-12-15(13-6-2,14-7-3)8(4)9(10)11/h8H,5-7H2,1-4H3,(H,10,11)/p-1
InChIKeyDPZAXHCMFPNUCE-UHFFFAOYSA-M
MW235.33 g/mol
LogP0.17
Rot. Bonds8

About 2-triethoxysilylpropanoate

2-triethoxysilylpropanoate (PubChem CID 22068871) has the molecular formula C9H19O5Si- and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-triethoxysilylpropanoate.

Molecular Properties

Compound Name2-triethoxysilylpropanoate
PubChem CID22068871
Molecular FormulaC9H19O5Si-
Molecular Weight235.33 g/mol
Exact Mass235.10
IUPAC Name2-triethoxysilylpropanoate
SMILESCCO[Si](OCC)(OCC)C(C)C(=O)[O-]
InChIInChI=1S/C9H20O5Si/c1-5-12-15(13-6-2,14-7-3)8(4)9(10)11/h8H,5-7H2,1-4H3,(H,10,11)/p-1
InChIKeyDPZAXHCMFPNUCE-UHFFFAOYSA-M
XLogP0.17
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

octyl 2-triethoxysilylpropanoate
CID 141314652
O-methyl 2-triethoxysilylpropanethioate
CID 141147284
N-(2-triethoxysilylpropyl)propan-2-imine
CID 141152918
2,2-diethoxyacetate
CID 22600241
sodium 2-ethoxypropanoate
CID 141029681
1-triethoxysilylpropyl 2-methylbutanoate
CID 22902856
diethoxy-di(propan-2-yl)silane
CID 14048564
2-ethoxy-3-methylbutanoate
CID 23183641
1-dimethylphosphorylethyl(triethoxy)silane
CID 175367716
1-chloropropyl(triethoxy)silane;ethanol
CID 174653765
potassium 3-ethoxy-2-methyl-3-oxopropanoate
CID 23679020
lithium bis(triethoxysilyl)methanesulfonic acid
CID 22283870

Frequently Asked Questions

What is the IUPAC name of 2-triethoxysilylpropanoate?
The IUPAC name of 2-triethoxysilylpropanoate (CID 22068871) is 2-triethoxysilylpropanoate.
What is the SMILES notation for 2-triethoxysilylpropanoate?
The canonical SMILES for 2-triethoxysilylpropanoate is CCO[Si](OCC)(OCC)C(C)C(=O)[O-].
What is the InChIKey of 2-triethoxysilylpropanoate?
The InChIKey is DPZAXHCMFPNUCE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20O5Si/c1-5-12-15(13-6-2,14-7-3)8(4)9(10)11/h8H,5-7H2,1-4H3,(H,10,11)/p-1.
What are the key properties of 2-triethoxysilylpropanoate?
2-triethoxysilylpropanoate has a molecular weight of 235.33 g/mol, XLogP of 0.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triethoxysilylpropanoate is sourced from PubChem (CID 22068871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).