3-oxo-7-triethoxysilylheptanoic acid

C13H26O6Si — CID 174981558

IUPAC3-oxo-7-triethoxysilylheptanoic acid
SMILESCCO[Si](CCCCC(=O)CC(=O)O)(OCC)OCC
InChIInChI=1S/C13H26O6Si/c1-4-17-20(18-5-2,19-6-3)10-8-7-9-12(14)11-13(15)16/h4-11H2,1-3H3,(H,15,16)
InChIKeyVOBWROCXHJNQKP-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.25
Rot. Bonds13

About 3-oxo-7-triethoxysilylheptanoic acid

3-oxo-7-triethoxysilylheptanoic acid (PubChem CID 174981558) has the molecular formula C13H26O6Si and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-oxo-7-triethoxysilylheptanoic acid.

Molecular Properties

Compound Name3-oxo-7-triethoxysilylheptanoic acid
PubChem CID174981558
Molecular FormulaC13H26O6Si
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name3-oxo-7-triethoxysilylheptanoic acid
SMILESCCO[Si](CCCCC(=O)CC(=O)O)(OCC)OCC
InChIInChI=1S/C13H26O6Si/c1-4-17-20(18-5-2,19-6-3)10-8-7-9-12(14)11-13(15)16/h4-11H2,1-3H3,(H,15,16)
InChIKeyVOBWROCXHJNQKP-UHFFFAOYSA-N
XLogP2.25
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze 3-oxo-7-triethoxysilylheptanoic 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-7-triethoxysilylheptanoic acid?
The IUPAC name of 3-oxo-7-triethoxysilylheptanoic acid (CID 174981558) is 3-oxo-7-triethoxysilylheptanoic acid.
What is the SMILES notation for 3-oxo-7-triethoxysilylheptanoic acid?
The canonical SMILES for 3-oxo-7-triethoxysilylheptanoic acid is CCO[Si](CCCCC(=O)CC(=O)O)(OCC)OCC.
What is the InChIKey of 3-oxo-7-triethoxysilylheptanoic acid?
The InChIKey is VOBWROCXHJNQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6Si/c1-4-17-20(18-5-2,19-6-3)10-8-7-9-12(14)11-13(15)16/h4-11H2,1-3H3,(H,15,16).
What are the key properties of 3-oxo-7-triethoxysilylheptanoic acid?
3-oxo-7-triethoxysilylheptanoic acid has a molecular weight of 306.43 g/mol, XLogP of 2.25, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-7-triethoxysilylheptanoic acid is sourced from PubChem (CID 174981558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).