Methyl 4-oxo-2-(silyloxy)butanoate

C5H7O4Si — CID 78067713

IUPAC—
SMILESCOC(=O)C(CC=O)O[Si]
InChIInChI=1S/C5H7O4Si/c1-8-5(7)4(9-10)2-3-6/h3-4H,2H2,1H3
InChIKeyQWJPGPTUJPEMLV-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.78
Rot. Bonds4

About Methyl 4-oxo-2-(silyloxy)butanoate

Methyl 4-oxo-2-(silyloxy)butanoate (PubChem CID 78067713) has the molecular formula C5H7O4Si and a molecular weight of 159.19 g/mol.

Molecular Properties

Compound NameMethyl 4-oxo-2-(silyloxy)butanoate
PubChem CID78067713
Molecular FormulaC5H7O4Si
Molecular Weight159.19 g/mol
Exact Mass159.01
IUPAC Name—
SMILESCOC(=O)C(CC=O)O[Si]
InChIInChI=1S/C5H7O4Si/c1-8-5(7)4(9-10)2-3-6/h3-4H,2H2,1H3
InChIKeyQWJPGPTUJPEMLV-UHFFFAOYSA-N
XLogP-0.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.78
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

methyl (2S)-2-methoxy-4-oxobutanoate
CID 130736035
methyl 2-bromo-4-oxobutanoate
CID 141401171
methyl 2-(2-oxoethyl)but-3-enoate
CID 123768529
ethene;methyl 2-(methylamino)-4-oxobutanoate
CID 158257207
methyl 2-oxoethyl carbonate
CID 20662885
methyl 3-bromo-2-methoxypropanoate
CID 13085535
methyl 2-benzyl-4-oxobutanoate
CID 10608348
methyl 2-[bis(3-sulfanylidenebutyl)amino]-4-oxobutanoate
CID 175837539
methyl (2R)-2-methoxypentanoate
CID 30403288
ethyl (2S)-4-oxo-2-triethylsilyloxybutanoate
CID 11448351
methyl 2-[acetyloxymethyl(methoxycarbonyl)amino]-4-oxobutanoate
CID 122213128
dimethyl 2,4-bis(sulfanyl)pentanedioate
CID 59141618

Frequently Asked Questions

What is the IUPAC name of Methyl 4-oxo-2-(silyloxy)butanoate?
The IUPAC name of Methyl 4-oxo-2-(silyloxy)butanoate (CID 78067713) is not available.
What is the SMILES notation for Methyl 4-oxo-2-(silyloxy)butanoate?
The canonical SMILES for Methyl 4-oxo-2-(silyloxy)butanoate is COC(=O)C(CC=O)O[Si].
What is the InChIKey of Methyl 4-oxo-2-(silyloxy)butanoate?
The InChIKey is QWJPGPTUJPEMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7O4Si/c1-8-5(7)4(9-10)2-3-6/h3-4H,2H2,1H3.
What are the key properties of Methyl 4-oxo-2-(silyloxy)butanoate?
Methyl 4-oxo-2-(silyloxy)butanoate has a molecular weight of 159.19 g/mol, XLogP of -0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 4-oxo-2-(silyloxy)butanoate is sourced from PubChem (CID 78067713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).