2-triethoxysilyloxybutanedioic acid

C10H20O8Si — CID 10957429

IUPAC2-triethoxysilyloxybutanedioic acid
SMILESCCO[Si](OCC)(OCC)OC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H20O8Si/c1-4-15-19(16-5-2,17-6-3)18-8(10(13)14)7-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeySMOPXWVOPTWMAF-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.48
Rot. Bonds11

About 2-triethoxysilyloxybutanedioic acid

2-triethoxysilyloxybutanedioic acid (PubChem CID 10957429) has the molecular formula C10H20O8Si and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-triethoxysilyloxybutanedioic acid.

Molecular Properties

Compound Name2-triethoxysilyloxybutanedioic acid
PubChem CID10957429
Molecular FormulaC10H20O8Si
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name2-triethoxysilyloxybutanedioic acid
SMILESCCO[Si](OCC)(OCC)OC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H20O8Si/c1-4-15-19(16-5-2,17-6-3)18-8(10(13)14)7-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeySMOPXWVOPTWMAF-UHFFFAOYSA-N
XLogP0.48
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-ethoxybutanedioic acid
CID 101245963
2-(2,2-diethoxyethoxy)butanedioic acid
CID 150684486
2-(2-methylpropoxy)-3-triethoxysilyloxybutanedioic acid
CID 174809161
2-ethoxybutanedioic acid;propane-1,2-diol
CID 87565430
2-(2-deuterioethoxy)butanedioic acid
CID 175726030
2-(1-triethoxysilylpropyl)butanedioic acid
CID 23043479
2-acetyloxybutanedioic acid;ethane
CID 90962940
2-(1-carboxyethoxy)butanedioic acid
CID 18176039
2-nonadecoxybutanedioic acid
CID 122611322
2-(aminomethoxy)butanedioic acid
CID 174248592
CID 159903683
CID 159903683
2-trimethylsilyloxybutanoic acid
CID 88616813

Frequently Asked Questions

What is the IUPAC name of 2-triethoxysilyloxybutanedioic acid?
The IUPAC name of 2-triethoxysilyloxybutanedioic acid (CID 10957429) is 2-triethoxysilyloxybutanedioic acid.
What is the SMILES notation for 2-triethoxysilyloxybutanedioic acid?
The canonical SMILES for 2-triethoxysilyloxybutanedioic acid is CCO[Si](OCC)(OCC)OC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-triethoxysilyloxybutanedioic acid?
The InChIKey is SMOPXWVOPTWMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O8Si/c1-4-15-19(16-5-2,17-6-3)18-8(10(13)14)7-9(11)12/h8H,4-7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-triethoxysilyloxybutanedioic acid?
2-triethoxysilyloxybutanedioic acid has a molecular weight of 296.35 g/mol, XLogP of 0.48, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triethoxysilyloxybutanedioic acid is sourced from PubChem (CID 10957429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).