ethyl (2S)-4-oxo-2-triethylsilyloxybutanoate

C12H24O4Si — CID 11448351

IUPACethyl (2S)-4-oxo-2-triethylsilyloxybutanoate
SMILESCCOC(=O)[C@H](CC=O)O[Si](CC)(CC)CC
InChIInChI=1S/C12H24O4Si/c1-5-15-12(14)11(9-10-13)16-17(6-2,7-3)8-4/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyKAFAIKTZCCYLOG-NSHDSACASA-N
MW260.41 g/mol
LogP2.53
Rot. Bonds9

About ethyl (2S)-4-oxo-2-triethylsilyloxybutanoate

ethyl (2S)-4-oxo-2-triethylsilyloxybutanoate (PubChem CID 11448351) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is ethyl (2S)-4-oxo-2-triethylsilyloxybutanoate.

Molecular Properties

Compound Nameethyl (2S)-4-oxo-2-triethylsilyloxybutanoate
PubChem CID11448351
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Nameethyl (2S)-4-oxo-2-triethylsilyloxybutanoate
SMILESCCOC(=O)[C@H](CC=O)O[Si](CC)(CC)CC
InChIInChI=1S/C12H24O4Si/c1-5-15-12(14)11(9-10-13)16-17(6-2,7-3)8-4/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyKAFAIKTZCCYLOG-NSHDSACASA-N
XLogP2.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-hydroxy-4-oxobutanoate
CID 78382664
ethyl (2S)-2-amino-4-oxobutanoate
CID 174339605
ethyl 4-amino-4-oxo-2-(2-oxoethyl)butanoate
CID 141031840
ethyl 2-(methylamino)-4-oxobutanoate
CID 145228105
(3S)-3-phenyl-3-triethylsilyloxypropanal
CID 10923425
(2R)-2-triethylsilyloxybutanal
CID 88543648
ethyl (E,3S)-4-formyl-3-(2-oxoethyl)hex-4-enoate
CID 164735216
ethyl 2-fluoro-2-triethylsilylacetate
CID 174297948
methyl (2S)-2-methoxy-4-oxobutanoate
CID 130736035
ethyl (E,4S)-5,5-dimethyl-4-triethylsilyloxyhex-2-enoate
CID 5468978
ethyl 2-oxoethyl carbonate
CID 87169722
ethyl 2-methoxybutanoate
CID 59767959

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-4-oxo-2-triethylsilyloxybutanoate?
The IUPAC name of ethyl (2S)-4-oxo-2-triethylsilyloxybutanoate (CID 11448351) is ethyl (2S)-4-oxo-2-triethylsilyloxybutanoate.
What is the SMILES notation for ethyl (2S)-4-oxo-2-triethylsilyloxybutanoate?
The canonical SMILES for ethyl (2S)-4-oxo-2-triethylsilyloxybutanoate is CCOC(=O)[C@H](CC=O)O[Si](CC)(CC)CC.
What is the InChIKey of ethyl (2S)-4-oxo-2-triethylsilyloxybutanoate?
The InChIKey is KAFAIKTZCCYLOG-NSHDSACASA-N. The full InChI is InChI=1S/C12H24O4Si/c1-5-15-12(14)11(9-10-13)16-17(6-2,7-3)8-4/h10-11H,5-9H2,1-4H3/t11-/m0/s1.
What are the key properties of ethyl (2S)-4-oxo-2-triethylsilyloxybutanoate?
ethyl (2S)-4-oxo-2-triethylsilyloxybutanoate has a molecular weight of 260.41 g/mol, XLogP of 2.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-4-oxo-2-triethylsilyloxybutanoate is sourced from PubChem (CID 11448351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).