trimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate

C12H22O7Si — CID 611963

IUPACtrimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate
SMILESCOC(=O)CC(CC(=O)OC)(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C12H22O7Si/c1-16-9(13)7-12(11(15)18-3,8-10(14)17-2)19-20(4,5)6/h7-8H2,1-6H3
InChIKeyFMJRQCAGNQJMKK-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.88
Rot. Bonds7

About trimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate

trimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate (PubChem CID 611963) has the molecular formula C12H22O7Si and a molecular weight of 306.39 g/mol. Its IUPAC name is trimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametrimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate
PubChem CID611963
Molecular FormulaC12H22O7Si
Molecular Weight306.39 g/mol
Exact Mass306.11
IUPAC Nametrimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate
SMILESCOC(=O)CC(CC(=O)OC)(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C12H22O7Si/c1-16-9(13)7-12(11(15)18-3,8-10(14)17-2)19-20(4,5)6/h7-8H2,1-6H3
InChIKeyFMJRQCAGNQJMKK-UHFFFAOYSA-N
XLogP0.88
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate?
The IUPAC name of trimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate (CID 611963) is trimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for trimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate?
The canonical SMILES for trimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate is COC(=O)CC(CC(=O)OC)(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of trimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate?
The InChIKey is FMJRQCAGNQJMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O7Si/c1-16-9(13)7-12(11(15)18-3,8-10(14)17-2)19-20(4,5)6/h7-8H2,1-6H3.
What are the key properties of trimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate?
trimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate has a molecular weight of 306.39 g/mol, XLogP of 0.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 611963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).