2-oxo-2-trimethylsilylacetaldehyde

C5H10O2Si — CID 142647439

IUPAC2-oxo-2-trimethylsilylacetaldehyde
SMILESC[Si](C)(C)C(=O)C=O
InChIInChI=1S/C5H10O2Si/c1-8(2,3)5(7)4-6/h4H,1-3H3
InChIKeyBGQSSOOZJRZJRB-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.63
Rot. Bonds2

About 2-oxo-2-trimethylsilylacetaldehyde

2-oxo-2-trimethylsilylacetaldehyde (PubChem CID 142647439) has the molecular formula C5H10O2Si and a molecular weight of 130.22 g/mol. Its IUPAC name is 2-oxo-2-trimethylsilylacetaldehyde.

Molecular Properties

Compound Name2-oxo-2-trimethylsilylacetaldehyde
PubChem CID142647439
Molecular FormulaC5H10O2Si
Molecular Weight130.22 g/mol
Exact Mass130.05
IUPAC Name2-oxo-2-trimethylsilylacetaldehyde
SMILESC[Si](C)(C)C(=O)C=O
InChIInChI=1S/C5H10O2Si/c1-8(2,3)5(7)4-6/h4H,1-3H3
InChIKeyBGQSSOOZJRZJRB-UHFFFAOYSA-N
XLogP0.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-2-trimethylsilylacetaldehyde?
The IUPAC name of 2-oxo-2-trimethylsilylacetaldehyde (CID 142647439) is 2-oxo-2-trimethylsilylacetaldehyde.
What is the SMILES notation for 2-oxo-2-trimethylsilylacetaldehyde?
The canonical SMILES for 2-oxo-2-trimethylsilylacetaldehyde is C[Si](C)(C)C(=O)C=O.
What is the InChIKey of 2-oxo-2-trimethylsilylacetaldehyde?
The InChIKey is BGQSSOOZJRZJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2Si/c1-8(2,3)5(7)4-6/h4H,1-3H3.
What are the key properties of 2-oxo-2-trimethylsilylacetaldehyde?
2-oxo-2-trimethylsilylacetaldehyde has a molecular weight of 130.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-trimethylsilylacetaldehyde is sourced from PubChem (CID 142647439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).