2-oxo-3,3-bis(trimethylsilyl)propanoic acid

C9H20O3Si2 — CID 22211706

IUPAC2-oxo-3,3-bis(trimethylsilyl)propanoic acid
SMILESC[Si](C)(C)C(C(=O)C(=O)O)[Si](C)(C)C
InChIInChI=1S/C9H20O3Si2/c1-13(2,3)9(14(4,5)6)7(10)8(11)12/h9H,1-6H3,(H,11,12)
InChIKeyVMNCXCOMMNZWCO-UHFFFAOYSA-N
MW232.43 g/mol
LogP2.23
Rot. Bonds4

About 2-oxo-3,3-bis(trimethylsilyl)propanoic acid

2-oxo-3,3-bis(trimethylsilyl)propanoic acid (PubChem CID 22211706) has the molecular formula C9H20O3Si2 and a molecular weight of 232.43 g/mol. Its IUPAC name is 2-oxo-3,3-bis(trimethylsilyl)propanoic acid.

Molecular Properties

Compound Name2-oxo-3,3-bis(trimethylsilyl)propanoic acid
PubChem CID22211706
Molecular FormulaC9H20O3Si2
Molecular Weight232.43 g/mol
Exact Mass232.10
IUPAC Name2-oxo-3,3-bis(trimethylsilyl)propanoic acid
SMILESC[Si](C)(C)C(C(=O)C(=O)O)[Si](C)(C)C
InChIInChI=1S/C9H20O3Si2/c1-13(2,3)9(14(4,5)6)7(10)8(11)12/h9H,1-6H3,(H,11,12)
InChIKeyVMNCXCOMMNZWCO-UHFFFAOYSA-N
XLogP2.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3,3-bis(trimethylsilyl)propanoic acid?
The IUPAC name of 2-oxo-3,3-bis(trimethylsilyl)propanoic acid (CID 22211706) is 2-oxo-3,3-bis(trimethylsilyl)propanoic acid.
What is the SMILES notation for 2-oxo-3,3-bis(trimethylsilyl)propanoic acid?
The canonical SMILES for 2-oxo-3,3-bis(trimethylsilyl)propanoic acid is C[Si](C)(C)C(C(=O)C(=O)O)[Si](C)(C)C.
What is the InChIKey of 2-oxo-3,3-bis(trimethylsilyl)propanoic acid?
The InChIKey is VMNCXCOMMNZWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si2/c1-13(2,3)9(14(4,5)6)7(10)8(11)12/h9H,1-6H3,(H,11,12).
What are the key properties of 2-oxo-3,3-bis(trimethylsilyl)propanoic acid?
2-oxo-3,3-bis(trimethylsilyl)propanoic acid has a molecular weight of 232.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3,3-bis(trimethylsilyl)propanoic acid is sourced from PubChem (CID 22211706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).