2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid

C9H16O7Si — CID 57446920

IUPAC2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid
SMILESC[Si](C)(C)OC(CC(=O)O)(CC(=O)O)C(=O)O
InChIInChI=1S/C9H16O7Si/c1-17(2,3)16-9(8(14)15,4-6(10)11)5-7(12)13/h4-5H2,1-3H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyLEECWJUKJSWWLA-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.61
Rot. Bonds7

About 2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid

2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid (PubChem CID 57446920) has the molecular formula C9H16O7Si and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid
PubChem CID57446920
Molecular FormulaC9H16O7Si
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid
SMILESC[Si](C)(C)OC(CC(=O)O)(CC(=O)O)C(=O)O
InChIInChI=1S/C9H16O7Si/c1-17(2,3)16-9(8(14)15,4-6(10)11)5-7(12)13/h4-5H2,1-3H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyLEECWJUKJSWWLA-UHFFFAOYSA-N
XLogP0.61
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Plutonium citrate
CID 108004
1,2,3-Propanetricarboxylic acid, 2-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 553132
3-(tert-Butoxycarbonyl)-3-hydroxypentanedioic acid
CID 13846773
2-Hydroxy-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]butanedioic acid
CID 20090103
Carbon citric acid
CID 86586139
2-Hydroxypropane-1,2,3-tricarboxylic acid;propan-2-one
CID 87075545
Citrate pentahydrate
CID 129692788
Bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+) dihydride)
CID 163360079
1,2,3-Propanetricarboxylic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tris(tert-butyldimethylsilyl) ester
CID 528571
D-(-)-Citramalic acid, 2TMS derivative
CID 91696417
Citric Acid, tris(trimethylsilyl) ester
CID 91696760
Trimethyl 2-trimethylsilyloxypropane-1,2,3-tricarboxylate
CID 611963

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of 2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid (CID 57446920) is 2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for 2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid is C[Si](C)(C)OC(CC(=O)O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid?
The InChIKey is LEECWJUKJSWWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O7Si/c1-17(2,3)16-9(8(14)15,4-6(10)11)5-7(12)13/h4-5H2,1-3H3,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid?
2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 57446920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).