3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid

C10H16O9Si — CID 88601705

IUPAC3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid
SMILESC[Si](C)(C)OC(OC(=O)CC(=O)O)OC(=O)CC(=O)O
InChIInChI=1S/C10H16O9Si/c1-20(2,3)19-10(17-8(15)4-6(11)12)18-9(16)5-7(13)14/h10H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyCGXVEUKGZABBIM-UHFFFAOYSA-N
MW308.32 g/mol
LogP0.16
Rot. Bonds8

About 3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid

3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid (PubChem CID 88601705) has the molecular formula C10H16O9Si and a molecular weight of 308.32 g/mol. Its IUPAC name is 3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid
PubChem CID88601705
Molecular FormulaC10H16O9Si
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC Name3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid
SMILESC[Si](C)(C)OC(OC(=O)CC(=O)O)OC(=O)CC(=O)O
InChIInChI=1S/C10H16O9Si/c1-20(2,3)19-10(17-8(15)4-6(11)12)18-9(16)5-7(13)14/h10H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyCGXVEUKGZABBIM-UHFFFAOYSA-N
XLogP0.16
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyloxy-(2-carboxyacetyl)oxymethoxy]-3-oxopropanoic acid;butane
CID 88674896
3-(dihydroxymethoxy)-3-oxopropanoic acid
CID 87524206
cyclopropane;3-oxo-3-propan-2-yloxypropanoic acid
CID 175553635
3-trimethylsilyloxybutanoic acid
CID 11008465
3-[1-(diethylamino)butoxy]-3-oxopropanoic acid
CID 156562861
3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid
CID 23169573
ethane;3-methoxy-3-oxopropanoic acid
CID 91567189
3-[(2-carboxyacetyl)oxy-ethoxymethoxy]-3-oxopropanoic acid;2-phenylethylbenzene
CID 70388366
3-(1-hydroxypentoxy)-3-oxopropanoic acid
CID 88689940
3-hexan-2-yloxy-3-oxopropanoic acid
CID 87839274
3-(2-carboxyacetyl)peroxy-3-oxopropanoic acid
CID 175368500
acetic acid;3-methoxy-3-oxopropanoic acid
CID 162325440

Frequently Asked Questions

What is the IUPAC name of 3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid?
The IUPAC name of 3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid (CID 88601705) is 3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid.
What is the SMILES notation for 3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid?
The canonical SMILES for 3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid is C[Si](C)(C)OC(OC(=O)CC(=O)O)OC(=O)CC(=O)O.
What is the InChIKey of 3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid?
The InChIKey is CGXVEUKGZABBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O9Si/c1-20(2,3)19-10(17-8(15)4-6(11)12)18-9(16)5-7(13)14/h10H,4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid?
3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid has a molecular weight of 308.32 g/mol, XLogP of 0.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid is sourced from PubChem (CID 88601705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).