ethyl 3-oxo-5-trimethylsilylpentanoate

C10H20O3Si — CID 125490217

IUPACethyl 3-oxo-5-trimethylsilylpentanoate
SMILESCCOC(=O)CC(=O)CC[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-5-13-10(12)8-9(11)6-7-14(2,3)4/h5-8H2,1-4H3
InChIKeyYONPQNHEXVZPSX-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.24
Rot. Bonds6

About ethyl 3-oxo-5-trimethylsilylpentanoate

ethyl 3-oxo-5-trimethylsilylpentanoate (PubChem CID 125490217) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is ethyl 3-oxo-5-trimethylsilylpentanoate.

Molecular Properties

Compound Nameethyl 3-oxo-5-trimethylsilylpentanoate
PubChem CID125490217
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Nameethyl 3-oxo-5-trimethylsilylpentanoate
SMILESCCOC(=O)CC(=O)CC[Si](C)(C)C
InChIInChI=1S/C10H20O3Si/c1-5-13-10(12)8-9(11)6-7-14(2,3)4/h5-8H2,1-4H3
InChIKeyYONPQNHEXVZPSX-UHFFFAOYSA-N
XLogP2.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Amyl Acetoacetate
CID 138786
4-Ethyl-3-trimethylsilyloxetan-2-one
CID 327320
Ethyl 3-oxo-5-trimethylsilylpent-4-ynoate
CID 11469919
3-(Trimethoxysilyl)propyl 3-oxobutanoate
CID 22022576
3-Ketovaleric acid, TMS
CID 523682
Ethyl 3-oxo-2-(trimethylsilylmethyl)butanoate
CID 4116884
(3R,4S)-4-ethyl-3-trimethylsilyloxetan-2-one
CID 12426044
(3R,4R)-4-ethyl-3-trimethylsilyloxetan-2-one
CID 12426045
(3S,4R)-4-Ethyl-3-(trimethylsilyl)oxetan-2-one
CID 71374857
Ethyl 6-[tert-butyl(dimethyl)silyl]oxy-3-oxohexanoate
CID 134975630
Methyl 3-oxo-5-trimethylsilylethoxypentanoate
CID 101618191
2-(Trimethylsilyl)ethyl Acetoacetate
CID 11481114

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-5-trimethylsilylpentanoate?
The IUPAC name of ethyl 3-oxo-5-trimethylsilylpentanoate (CID 125490217) is ethyl 3-oxo-5-trimethylsilylpentanoate.
What is the SMILES notation for ethyl 3-oxo-5-trimethylsilylpentanoate?
The canonical SMILES for ethyl 3-oxo-5-trimethylsilylpentanoate is CCOC(=O)CC(=O)CC[Si](C)(C)C.
What is the InChIKey of ethyl 3-oxo-5-trimethylsilylpentanoate?
The InChIKey is YONPQNHEXVZPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-5-13-10(12)8-9(11)6-7-14(2,3)4/h5-8H2,1-4H3.
What are the key properties of ethyl 3-oxo-5-trimethylsilylpentanoate?
ethyl 3-oxo-5-trimethylsilylpentanoate has a molecular weight of 216.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-5-trimethylsilylpentanoate is sourced from PubChem (CID 125490217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).