3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid

C12H24O7Si — CID 23169573

IUPAC3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid
SMILESCCO[Si](OCC)(OCC)C(CC)OC(=O)CC(=O)O
InChIInChI=1S/C12H24O7Si/c1-5-12(19-11(15)9-10(13)14)20(16-6-2,17-7-3)18-8-4/h12H,5-9H2,1-4H3,(H,13,14)
InChIKeyGPOSTHUGVPKIPN-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.37
Rot. Bonds11

About 3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid

3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid (PubChem CID 23169573) has the molecular formula C12H24O7Si and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid.

Molecular Properties

Compound Name3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid
PubChem CID23169573
Molecular FormulaC12H24O7Si
Molecular Weight308.40 g/mol
Exact Mass308.13
IUPAC Name3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid
SMILESCCO[Si](OCC)(OCC)C(CC)OC(=O)CC(=O)O
InChIInChI=1S/C12H24O7Si/c1-5-12(19-11(15)9-10(13)14)20(16-6-2,17-7-3)18-8-4/h12H,5-9H2,1-4H3,(H,13,14)
InChIKeyGPOSTHUGVPKIPN-UHFFFAOYSA-N
XLogP1.37
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid?
The IUPAC name of 3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid (CID 23169573) is 3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid.
What is the SMILES notation for 3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid?
The canonical SMILES for 3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid is CCO[Si](OCC)(OCC)C(CC)OC(=O)CC(=O)O.
What is the InChIKey of 3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid?
The InChIKey is GPOSTHUGVPKIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O7Si/c1-5-12(19-11(15)9-10(13)14)20(16-6-2,17-7-3)18-8-4/h12H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid?
3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid has a molecular weight of 308.40 g/mol, XLogP of 1.37, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid is sourced from PubChem (CID 23169573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).