3-triethoxysilylpropyl 3-oxobutanoate

C13H26O6Si — CID 58760846

IUPAC3-triethoxysilylpropyl 3-oxobutanoate
SMILESCCO[Si](CCCOC(=O)CC(C)=O)(OCC)OCC
InChIInChI=1S/C13H26O6Si/c1-5-17-20(18-6-2,19-7-3)10-8-9-16-13(15)11-12(4)14/h5-11H2,1-4H3
InChIKeyTZFMECYAADALCX-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.95
Rot. Bonds12

About 3-triethoxysilylpropyl 3-oxobutanoate

3-triethoxysilylpropyl 3-oxobutanoate (PubChem CID 58760846) has the molecular formula C13H26O6Si and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-triethoxysilylpropyl 3-oxobutanoate.

Molecular Properties

Compound Name3-triethoxysilylpropyl 3-oxobutanoate
PubChem CID58760846
Molecular FormulaC13H26O6Si
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name3-triethoxysilylpropyl 3-oxobutanoate
SMILESCCO[Si](CCCOC(=O)CC(C)=O)(OCC)OCC
InChIInChI=1S/C13H26O6Si/c1-5-17-20(18-6-2,19-7-3)10-8-9-16-13(15)11-12(4)14/h5-11H2,1-4H3
InChIKeyTZFMECYAADALCX-UHFFFAOYSA-N
XLogP1.95
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3-triethoxysilylpropyl 3-oxobutanoate?
The IUPAC name of 3-triethoxysilylpropyl 3-oxobutanoate (CID 58760846) is 3-triethoxysilylpropyl 3-oxobutanoate.
What is the SMILES notation for 3-triethoxysilylpropyl 3-oxobutanoate?
The canonical SMILES for 3-triethoxysilylpropyl 3-oxobutanoate is CCO[Si](CCCOC(=O)CC(C)=O)(OCC)OCC.
What is the InChIKey of 3-triethoxysilylpropyl 3-oxobutanoate?
The InChIKey is TZFMECYAADALCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6Si/c1-5-17-20(18-6-2,19-7-3)10-8-9-16-13(15)11-12(4)14/h5-11H2,1-4H3.
What are the key properties of 3-triethoxysilylpropyl 3-oxobutanoate?
3-triethoxysilylpropyl 3-oxobutanoate has a molecular weight of 306.43 g/mol, XLogP of 1.95, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropyl 3-oxobutanoate is sourced from PubChem (CID 58760846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).