tris(trimethylsilyl) propane-1,1,2-tricarboxylate

C15H32O6Si3 — CID 553637

IUPACtris(trimethylsilyl) propane-1,1,2-tricarboxylate
SMILESCC(C(=O)O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H32O6Si3/c1-11(13(16)19-22(2,3)4)12(14(17)20-23(5,6)7)15(18)21-24(8,9)10/h11-12H,1-10H3
InChIKeyQPUCMIJGVZQFHV-UHFFFAOYSA-N
MW392.67 g/mol
LogP3.37
Rot. Bonds7

About tris(trimethylsilyl) propane-1,1,2-tricarboxylate

tris(trimethylsilyl) propane-1,1,2-tricarboxylate (PubChem CID 553637) has the molecular formula C15H32O6Si3 and a molecular weight of 392.67 g/mol. Its IUPAC name is tris(trimethylsilyl) propane-1,1,2-tricarboxylate.

Molecular Properties

Compound Nametris(trimethylsilyl) propane-1,1,2-tricarboxylate
PubChem CID553637
Molecular FormulaC15H32O6Si3
Molecular Weight392.67 g/mol
Exact Mass392.15
IUPAC Nametris(trimethylsilyl) propane-1,1,2-tricarboxylate
SMILESCC(C(=O)O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C15H32O6Si3/c1-11(13(16)19-22(2,3)4)12(14(17)20-23(5,6)7)15(18)21-24(8,9)10/h11-12H,1-10H3
InChIKeyQPUCMIJGVZQFHV-UHFFFAOYSA-N
XLogP3.37
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.67
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethylmalonic acid, bis(trimethylsilyl) ester
CID 521657
Butanedioic acid, methyl-, bis(trimethylsilyl) ester
CID 521658
Butanedioic acid, 2,3-dimethyl-, bis(trimethylsilyl) ester
CID 521659
Bis[tert-butyl(dimethyl)silyl] 2-ethylmalonate
CID 553064
meso-Butanedioic acid, 2,3-dimethyl-, bis(trimethylsilyl) ester
CID 6431001

Frequently Asked Questions

What is the IUPAC name of tris(trimethylsilyl) propane-1,1,2-tricarboxylate?
The IUPAC name of tris(trimethylsilyl) propane-1,1,2-tricarboxylate (CID 553637) is tris(trimethylsilyl) propane-1,1,2-tricarboxylate.
What is the SMILES notation for tris(trimethylsilyl) propane-1,1,2-tricarboxylate?
The canonical SMILES for tris(trimethylsilyl) propane-1,1,2-tricarboxylate is CC(C(=O)O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of tris(trimethylsilyl) propane-1,1,2-tricarboxylate?
The InChIKey is QPUCMIJGVZQFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6Si3/c1-11(13(16)19-22(2,3)4)12(14(17)20-23(5,6)7)15(18)21-24(8,9)10/h11-12H,1-10H3.
What are the key properties of tris(trimethylsilyl) propane-1,1,2-tricarboxylate?
tris(trimethylsilyl) propane-1,1,2-tricarboxylate has a molecular weight of 392.67 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(trimethylsilyl) propane-1,1,2-tricarboxylate is sourced from PubChem (CID 553637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).