2-(3-triethoxysilylpropyl)butanedioic acid

C13H26O7Si — CID 11544318

IUPAC2-(3-triethoxysilylpropyl)butanedioic acid
SMILESCCO[Si](CCCC(CC(=O)O)C(=O)O)(OCC)OCC
InChIInChI=1S/C13H26O7Si/c1-4-18-21(19-5-2,20-6-3)9-7-8-11(13(16)17)10-12(14)15/h11H,4-10H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyFSCQZUXYTLYEIR-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.99
Rot. Bonds13

About 2-(3-triethoxysilylpropyl)butanedioic acid

2-(3-triethoxysilylpropyl)butanedioic acid (PubChem CID 11544318) has the molecular formula C13H26O7Si and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-(3-triethoxysilylpropyl)butanedioic acid.

Molecular Properties

Compound Name2-(3-triethoxysilylpropyl)butanedioic acid
PubChem CID11544318
Molecular FormulaC13H26O7Si
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name2-(3-triethoxysilylpropyl)butanedioic acid
SMILESCCO[Si](CCCC(CC(=O)O)C(=O)O)(OCC)OCC
InChIInChI=1S/C13H26O7Si/c1-4-18-21(19-5-2,20-6-3)9-7-8-11(13(16)17)10-12(14)15/h11H,4-10H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyFSCQZUXYTLYEIR-UHFFFAOYSA-N
XLogP1.99
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.99
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-(3-triethoxysilylpropyl)butanedioic acid?
The IUPAC name of 2-(3-triethoxysilylpropyl)butanedioic acid (CID 11544318) is 2-(3-triethoxysilylpropyl)butanedioic acid.
What is the SMILES notation for 2-(3-triethoxysilylpropyl)butanedioic acid?
The canonical SMILES for 2-(3-triethoxysilylpropyl)butanedioic acid is CCO[Si](CCCC(CC(=O)O)C(=O)O)(OCC)OCC.
What is the InChIKey of 2-(3-triethoxysilylpropyl)butanedioic acid?
The InChIKey is FSCQZUXYTLYEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O7Si/c1-4-18-21(19-5-2,20-6-3)9-7-8-11(13(16)17)10-12(14)15/h11H,4-10H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-(3-triethoxysilylpropyl)butanedioic acid?
2-(3-triethoxysilylpropyl)butanedioic acid has a molecular weight of 322.43 g/mol, XLogP of 1.99, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-triethoxysilylpropyl)butanedioic acid is sourced from PubChem (CID 11544318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).