2-(2-triethoxysilylethyl)butanedioic acid

C12H24O7Si — CID 141284054

IUPAC2-(2-triethoxysilylethyl)butanedioic acid
SMILESCCO[Si](CCC(CC(=O)O)C(=O)O)(OCC)OCC
InChIInChI=1S/C12H24O7Si/c1-4-17-20(18-5-2,19-6-3)8-7-10(12(15)16)9-11(13)14/h10H,4-9H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyVKHZBODDUAVGBK-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.60
Rot. Bonds12

About 2-(2-triethoxysilylethyl)butanedioic acid

2-(2-triethoxysilylethyl)butanedioic acid (PubChem CID 141284054) has the molecular formula C12H24O7Si and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(2-triethoxysilylethyl)butanedioic acid.

Molecular Properties

Compound Name2-(2-triethoxysilylethyl)butanedioic acid
PubChem CID141284054
Molecular FormulaC12H24O7Si
Molecular Weight308.40 g/mol
Exact Mass308.13
IUPAC Name2-(2-triethoxysilylethyl)butanedioic acid
SMILESCCO[Si](CCC(CC(=O)O)C(=O)O)(OCC)OCC
InChIInChI=1S/C12H24O7Si/c1-4-17-20(18-5-2,19-6-3)8-7-10(12(15)16)9-11(13)14/h10H,4-9H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyVKHZBODDUAVGBK-UHFFFAOYSA-N
XLogP1.60
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
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 2-(2-triethoxysilylethyl)butanedioic acid?
The IUPAC name of 2-(2-triethoxysilylethyl)butanedioic acid (CID 141284054) is 2-(2-triethoxysilylethyl)butanedioic acid.
What is the SMILES notation for 2-(2-triethoxysilylethyl)butanedioic acid?
The canonical SMILES for 2-(2-triethoxysilylethyl)butanedioic acid is CCO[Si](CCC(CC(=O)O)C(=O)O)(OCC)OCC.
What is the InChIKey of 2-(2-triethoxysilylethyl)butanedioic acid?
The InChIKey is VKHZBODDUAVGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O7Si/c1-4-17-20(18-5-2,19-6-3)8-7-10(12(15)16)9-11(13)14/h10H,4-9H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2-triethoxysilylethyl)butanedioic acid?
2-(2-triethoxysilylethyl)butanedioic acid has a molecular weight of 308.40 g/mol, XLogP of 1.60, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-triethoxysilylethyl)butanedioic acid is sourced from PubChem (CID 141284054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).