diethyl 2-(4-triethoxysilylbutyl)propanedioate

C17H34O7Si — CID 88725781

IUPACdiethyl 2-(4-triethoxysilylbutyl)propanedioate
SMILESCCOC(=O)C(CCCC[Si](OCC)(OCC)OCC)C(=O)OCC
InChIInChI=1S/C17H34O7Si/c1-6-20-16(18)15(17(19)21-7-2)13-11-12-14-25(22-8-3,23-9-4)24-10-5/h15H,6-14H2,1-5H3
InChIKeyZRNHQYLIALNKBJ-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.95
Rot. Bonds15

About diethyl 2-(4-triethoxysilylbutyl)propanedioate

diethyl 2-(4-triethoxysilylbutyl)propanedioate (PubChem CID 88725781) has the molecular formula C17H34O7Si and a molecular weight of 378.54 g/mol. Its IUPAC name is diethyl 2-(4-triethoxysilylbutyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(4-triethoxysilylbutyl)propanedioate
PubChem CID88725781
Molecular FormulaC17H34O7Si
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Namediethyl 2-(4-triethoxysilylbutyl)propanedioate
SMILESCCOC(=O)C(CCCC[Si](OCC)(OCC)OCC)C(=O)OCC
InChIInChI=1S/C17H34O7Si/c1-6-20-16(18)15(17(19)21-7-2)13-11-12-14-25(22-8-3,23-9-4)24-10-5/h15H,6-14H2,1-5H3
InChIKeyZRNHQYLIALNKBJ-UHFFFAOYSA-N
XLogP2.95
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-(4-triethoxysilylbutyl)propanedioate?
The IUPAC name of diethyl 2-(4-triethoxysilylbutyl)propanedioate (CID 88725781) is diethyl 2-(4-triethoxysilylbutyl)propanedioate.
What is the SMILES notation for diethyl 2-(4-triethoxysilylbutyl)propanedioate?
The canonical SMILES for diethyl 2-(4-triethoxysilylbutyl)propanedioate is CCOC(=O)C(CCCC[Si](OCC)(OCC)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-(4-triethoxysilylbutyl)propanedioate?
The InChIKey is ZRNHQYLIALNKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O7Si/c1-6-20-16(18)15(17(19)21-7-2)13-11-12-14-25(22-8-3,23-9-4)24-10-5/h15H,6-14H2,1-5H3.
What are the key properties of diethyl 2-(4-triethoxysilylbutyl)propanedioate?
diethyl 2-(4-triethoxysilylbutyl)propanedioate has a molecular weight of 378.54 g/mol, XLogP of 2.95, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(4-triethoxysilylbutyl)propanedioate is sourced from PubChem (CID 88725781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).