2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid

C14H28O9Si — CID 174809161

IUPAC2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid
SMILESCCO[Si](OCC)(OCC)OC(C(=O)O)C(OCC(C)C)C(=O)O
InChIInChI=1S/C14H28O9Si/c1-6-20-24(21-7-2,22-8-3)23-12(14(17)18)11(13(15)16)19-9-10(4)5/h10-12H,6-9H2,1-5H3,(H,15,16)(H,17,18)
InChIKeyQSSRSNIPIRUTHZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.13
Rot. Bonds14

About 2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid

2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid (PubChem CID 174809161) has the molecular formula C14H28O9Si and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid.

Molecular Properties

Compound Name2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid
PubChem CID174809161
Molecular FormulaC14H28O9Si
Molecular Weight368.46 g/mol
Exact Mass368.15
IUPAC Name2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid
SMILESCCO[Si](OCC)(OCC)OC(C(=O)O)C(OCC(C)C)C(=O)O
InChIInChI=1S/C14H28O9Si/c1-6-20-24(21-7-2,22-8-3)23-12(14(17)18)11(13(15)16)19-9-10(4)5/h10-12H,6-9H2,1-5H3,(H,15,16)(H,17,18)
InChIKeyQSSRSNIPIRUTHZ-UHFFFAOYSA-N
XLogP1.13
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic 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 2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid?
The IUPAC name of 2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid (CID 174809161) is 2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid.
What is the SMILES notation for 2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid?
The canonical SMILES for 2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid is CCO[Si](OCC)(OCC)OC(C(=O)O)C(OCC(C)C)C(=O)O.
What is the InChIKey of 2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid?
The InChIKey is QSSRSNIPIRUTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O9Si/c1-6-20-24(21-7-2,22-8-3)23-12(14(17)18)11(13(15)16)19-9-10(4)5/h10-12H,6-9H2,1-5H3,(H,15,16)(H,17,18).
What are the key properties of 2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid?
2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid has a molecular weight of 368.46 g/mol, XLogP of 1.13, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid is sourced from PubChem (CID 174809161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).