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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Related Compounds

1,2,3-Propanetricarboxylic acid, 2-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 553132
1,2,3-Propanetricarboxylic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tris(tert-butyldimethylsilyl) ester
CID 528571
2-Ethyl 1,3-bis(trimethylsilyl) 2-((trimethylsilyl)oxy)propane-1,2,3-tricarboxylate
CID 553684
Trimethyl 2-methoxypropane-1,2,3-tricarboxylate
CID 593847
1,2,3-Propanetricarboxylic acid, 1,2-bis[(trimethylsilyl)oxy]-, trimethyl ester
CID 553555
2,3-Furandicarboxylic acid, tetrahydro-5-oxo-3-[(trimethylsilyl)oxy]-, dimethyl ester
CID 560669
Methyl 2-(4,4-dimethyl-2-oxo-3-trimethylsilyloxyoxolan-3-yl)-2-methylpropanoate
CID 11822800
Trimethyl 2-acetyloxypropane-1,2,3-tricarboxylate
CID 14718306
Trimethyl 2-propanoyloxypropane-1,2,3-tricarboxylate
CID 14718307
1-O-acetyl 2-O,3-O-dimethyl 2-methoxypropane-1,2,3-tricarboxylate
CID 56992507
Triethyl 2-ethoxypropane-1,2,3-tricarboxylate
CID 57322317
2-Trimethylsilyloxypropane-1,2,3-tricarboxylic acid
CID 57446920

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).